Chem
J-GLOBAL ID：200907000815365747
Nikkaji number：J1.575.763I
5,5′-[(1,4-Phenylene)biscarbonylbisiminobis(3,1-phenylene)]bis[10,15,20-tris(4-pentylphenyl)-21H,23H-porphyrin]
5,5′-[(1,4-フェニレン)ビスカルボニルビスイミノビス(3,1-フェニレン)]ビス[10,15,20-トリス(4-ペンチルフェニル)-21H,23H-ポルフィリン]
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： C126H124N10O2
Molecular formula furigana： C126-H124-N10-O2
Molecular weight： 1810.446
InChI：
InChI=1S/C126H124N10O2/c1-7-13-19-27-83-37-49-89(50-38-83)117-101-65-69-105(129-101)119(91-53-41-85(42-54-91)29-21-15-9-3)109-73-77-113(133-109)123(114-78-74-110(134-114)120(106-70-66-102(117)130-106)92-55-43-86(44-56-92)30-22-16-10-4)97-33-25-35-99(81-97)127-125(137)95-61-63-96(64-62-95)126(138)128-100-36-26-34-98(82-100)124-115-79-75-111(135-115)121(93-57-45-87(46-58-93)31-23-17-11-5)107-71-67-103(131-107)118(90-51-39-84(40-52-90)28-20-14-8-2)104-68-72-108(132-104)122(112-76-80-116(124)136-112)94-59-47-88(48-60-94)32-24-18-12-6/h25-26,33-82,129,131,134,136H,7-24,27-32H2,1-6H3,(H,127,137)(H,128,138)/b117-101-,117-102-,118-103-,118-104-,119-105-,119-109-,120-106-,120-110-,121-107-,121-111-,122-108-,122-112-,123-113-,123-114-,124-115-,124-116-
InChI key：
DPQTXXYOMYUJRY-JGAMHLRCSA-N
SMILES：
CCCCCc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(CCCCC)cc1)[nH]4)/c1cccc(NC(=O)c4ccc(cc4)C(=O)Nc4cccc(c4)/C/4=c/5\cc/c(=C(/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC4=N8)/c4ccc(CCCCC)cc4)[nH]7)/c4ccc(CCCCC)cc4)/C=C6)\c4ccc(CCCCC)cc4)/[nH]5)c1)/C=C3)\c1ccc(CCCCC)cc1)/[nH]2
Systematic name (3)：
- 5,5′-[(1,4-フェニレン)ビスカルボニルビスイミノビス(3,1-フェニレン)]ビス[10,15,20-トリス(4-ペンチルフェニル)-21H,23H-ポルフィリン]
- N1-{3-[7,12,17-トリス(4-ペンチルフェニル)-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}-N4-{3-[7,12,17-トリス(4-ペンチルフェニル)-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}ベンゼン-1,4-ジカルボキサミド
- N1-{3-[7,12,17-tris(4-pentylphenyl)-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]phenyl}-N4-{3-[7,12,17-tris(4-pentylphenyl)-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}benzene-1,4-dicarboxamide
- 5,5′-[(1,4-Phenylene)biscarbonylbisiminobis(3,1-phenylene)]bis[10,15,20-tris(4-pentylphenyl)-21H,23H-porphyrin]
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