Chem
J-GLOBAL ID:200907016481004466   Nikkaji number:J2.077.582C

5-[4-(1′,2′,5′-Tridemethyl-β,φ-carotene-3′-ylcarbonyl)phenyl]-15-[4-(1,2,3,4-tetrahydro-1,4-methano-2-carboxy-9,10-dioxoanthracen-7-ylcarbonylamino)phenyl]-10,20-bis(4-methylphenyl)-21H,23H-porphyrin

5-[4-(1′,2′,5′-トリデメチル-β,φ-カロテン-3′-イルカルボニル)フェニル]-15-[4-(1,2,3,4-テトラヒドロ-1,4-メタノ-2-カルボキシ-9,10-ジオキソアントラセン-7-イルカルボニルアミノ)フェニル]-10,20-ビス(4-メチルフェニル)-21H,23H-ポルフィリン
Substance type:
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
Molecular formula: C101H89N5O6
Molecular formula furigana: C101-H89-N5-O6
Molecular weight: 1468.852
InChI: InChI=1S/C101H89N5O6/c1-60(15-10-11-16-61(2)18-13-20-63(4)27-47-81-66(7)21-14-56-101(81,8)9)17-12-19-62(3)22-28-67-29-35-72(36-30-67)96(107)73-39-37-70(38-40-73)92-86-52-48-82(103-86)90(68-31-23-64(5)24-32-68)84-50-54-88(105-84)93(89-55-51-85(106-89)91(83-49-53-87(92)104-83)69-33-25-65(6)26-34-69)71-41-44-76(45-42-71)102-99(110)74-43-46-77-79(57-74)98(109)95-78-58-75(94(95)97(77)108)59-80(78)100(111)112/h10-13,15-20,22-55,57,75,78,80,103,106H,14,21,56,58-59H2,1-9H3,(H,102,110)(H,111,112)/b11-10+,17-12+,18-13+,28-22+,47-27+,60-15+,61-16+,62-19+,63-20+,90-82-,90-84-,91-83-,91-85-,92-86-,92-87-,93-88-,93-89-
InChI key: MEXYUQNAXKHEGN-SMPOYMEXSA-N
SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\c1ccc(cc1)C(=O)c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C)cc1)[nH]4)/c1ccc(NC(=O)c4ccc5C(=O)C6=C(C7CC6CC7C(=O)O)C(=O)c5c4)cc1)/C=C3)\c1ccc(C)cc1)/[nH]2)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Systematic name  (3):
  • 5-[4-(1′,2′,5′-トリデメチル-β,φ-カロテン-3′-イルカルボニル)フェニル]-15-[4-(1,2,3,4-テトラヒドロ-1,4-メタノ-2-カルボキシ-9,10-ジオキソアントラセン-7-イルカルボニルアミノ)フェニル]-10,20-ビス(4-メチルフェニル)-21H,23H-ポルフィリン
  • 7-({4-[7,17-ビス(4-メチルフェニル)-12-(4-{4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-テトラメチル-18-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)オクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]ベンゾイル}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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]フェニル}カルバモイル)-3,10-ジオキソテトラシクロ[10.2.1.02,11.04,9]ペンタデカ-2(11),4,6,8-テトラエン-13-カルボン酸
  • 7-({4-[7,17-bis(4-methylphenyl)-12-(4-{4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]benzoyl}phenyl)-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}carbamoyl)-3,10-dioxotetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4,6,8-tetraene-13-carboxylic acid
Other name (1):
  • 5-[4-(1′,2′,5′-Tridemethyl-β,φ-carotene-3′-ylcarbonyl)phenyl]-15-[4-(1,2,3,4-tetrahydro-1,4-methano-2-carboxy-9,10-dioxoanthracen-7-ylcarbonylamino)phenyl]-10,20-bis(4-methylphenyl)-21H,23H-porphyrin
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