Chem
J-GLOBAL ID：200907041916846019
Nikkaji number：J1.584.950I
N-[4-[15-[4-[4-[15-[4-[(4-Formylphenyl)carbamoyl]phenyl]-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]benzoylamino]phenyl]-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]phenyl]-4-(2,4-cyclopentadienyl)benzamide
N-[4-[15-[4-[4-[15-[4-[(4-ホルミルフェニル)カルバモイル]フェニル]-10,20-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル]ベンゾイルアミノ]フェニル]-10,20-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル]フェニル]-4-(2,4-シクロペンタジエニル)ベンズアミド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C141H137N11O4
Molecular formula furigana： C141-H137-N11-O4
Molecular weight： 2049.719
InChI：
InChI=1S/C141H137N11O4/c1-134(2,3)96-69-92(70-97(77-96)135(4,5)6)127-115-61-53-107(145-115)123(85-33-39-90(40-34-85)132(155)142-104-47-29-82(81-153)30-48-104)108-54-62-116(146-108)128(93-71-98(136(7,8)9)78-99(72-93)137(10,11)12)118-64-56-110(148-118)124(109-55-63-117(127)147-109)86-35-41-91(42-36-86)133(156)144-106-51-45-88(46-52-106)126-113-59-67-121(151-113)129(94-73-100(138(13,14)15)79-101(74-94)139(16,17)18)119-65-57-111(149-119)125(87-43-49-105(50-44-87)143-131(154)89-37-31-84(32-38-89)83-27-25-26-28-83)112-58-66-120(150-112)130(122-68-60-114(126)152-122)95-75-102(140(19,20)21)80-103(76-95)141(22,23)24/h25-81,83,145,148-149,152H,1-24H3,(H,142,155)(H,143,154)(H,144,156)/b123-107-,123-108-,124-109-,124-110-,125-111-,125-112-,126-113-,126-114-,127-115-,127-117-,128-116-,128-118-,129-119-,129-121-,130-120-,130-122-
InChI key：
BYYCMPQMGRNTHK-XAKNSIMDSA-N
SMILES：
CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(NC(=O)c5ccc(cc5)/C/5=c/6\cc/c(=C(/C7=N/C(=C(\c8ccc(/C(=C\9/C=CC5=N9)/c5cc(cc(c5)C(C)(C)C)C(C)(C)C)[nH]8)/c5ccc(cc5)C(=O)Nc5ccc(C=O)cc5)/C=C7)\c5cc(cc(c5)C(C)(C)C)C(C)(C)C)/[nH]6)cc1)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1ccc(NC(=O)c3ccc(cc3)C3C=CC=C3)cc1)/[nH]2
Systematic name (3)：
- N-[4-[15-[4-[4-[15-[4-[(4-ホルミルフェニル)カルバモイル]フェニル]-10,20-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル]ベンゾイルアミノ]フェニル]-10,20-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル]フェニル]-4-(2,4-シクロペンタジエニル)ベンズアミド
- 4-[7,17-ビス(3,5-ジ-tert-ブチルフェニル)-12-{4-[(4-ホルミルフェニル)カルバモイル]フェニル}-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]-N-[4-(12-{4-[4-(シクロペンタ-2,4-ジエン-1-イル)ベンズアミド]フェニル}-7,17-ビス(3,5-ジ-tert-ブチルフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル)フェニル]ベンズアミド
- 4-[7,17-bis(3,5-di-tert-butylphenyl)-12-{4-[(4-formylphenyl)carbamoyl]phenyl}-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]-N-[4-(12-{4-[4-(cyclopenta-2,4-dien-1-yl)benzamido]phenyl}-7,17-bis(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl)phenyl]benzamide
- N-[4-[15-[4-[4-[15-[4-[(4-Formylphenyl)carbamoyl]phenyl]-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]benzoylamino]phenyl]-10,20-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]phenyl]-4-(2,4-cyclopentadienyl)benzamide
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