Chem
J-GLOBAL ID：200907012300414077   Nikkaji number：J1.584.951G

N-[4-[10,20-Bis(3,5-di-tert-butylphenyl)-15-(4-aminophenyl)-21H,23H-porphyrin-5-yl]phenyl]-4-(2,4-cyclopentadienyl)benzamide

N-[4-[10,20-ビス(3,5-ジ-tert-ブチルフェニル)-15-(4-アミノフェニル)-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
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： C72H72N6O
Molecular formula furigana： C72-H72-N6-O
Molecular weight： 1037.409
InChI： InChI=1S/C72H72N6O/c1-69(2,3)50-37-48(38-51(41-50)70(4,5)6)66-60-33-29-56(75-60)64(45-21-25-54(73)26-22-45)57-30-34-61(76-57)67(49-39-52(71(7,8)9)42-53(40-49)72(10,11)12)63-36-32-59(78-63)65(58-31-35-62(66)77-58)46-23-27-55(28-24-46)74-68(79)47-19-17-44(18-20-47)43-15-13-14-16-43/h13-43,75,78H,73H2,1-12H3,(H,74,79)/b64-56-,64-57-,65-58-,65-59-,66-60-,66-62-,67-61-,67-63-
InChI key： WJGISSNXUVBRQN-ATGCOLLTSA-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)C5C=CC=C5)cc1)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1ccc(N)cc1)/[nH]2
Systematic name  (3)：
  • N-[4-[10,20-ビス(3,5-ジ-tert-ブチルフェニル)-15-(4-アミノフェニル)-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
  • N-{4-[12-(4-アミノフェニル)-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}-4-(シクロペンタ-2,4-ジエン-1-イル)ベンズアミド
  • N-{4-[12-(4-aminophenyl)-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}-4-(cyclopenta-2,4-dien-1-yl)benzamide
Other name (1)：
  • N-[4-[10,20-Bis(3,5-di-tert-butylphenyl)-15-(4-aminophenyl)-21H,23H-porphyrin-5-yl]phenyl]-4-(2,4-cyclopentadienyl)benzamide
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