Chem
J-GLOBAL ID:200907047480061043   Nikkaji number:J2.717.866I

5-(4-Carboxyphenyl)-10,20-dimesityl-15-[4-[[4′-(acetylamino)-2,2′-bipyridine-4-yl]carbamoyl]phenyl]-21H,23H-porphyrin

4-[5,15-ジメシチル-10-[4-[[4′-(アセチルアミノ)-2,2′-ビピリジン-4-イル]カルバモイル]フェニル]-21H,23H-ポルフィリン-20-イル]安息香酸
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: C64H52N8O4
Molecular formula furigana: C64-H52-N8-O4
Molecular weight: 997.172
InChI: InChI=1S/C64H52N8O4/c1-34-28-36(3)57(37(4)29-34)61-51-20-16-47(69-51)59(41-8-12-43(13-9-41)63(74)68-46-25-27-66-56(33-46)55-32-45(24-26-65-55)67-40(7)73)48-17-21-52(70-48)62(58-38(5)30-35(2)31-39(58)6)54-23-19-50(72-54)60(49-18-22-53(61)71-49)42-10-14-44(15-11-42)64(75)76/h8-33,69,72H,1-7H3,(H,75,76)(H,65,67,73)(H,66,68,74)/b59-47-,59-48-,60-49-,60-50-,61-51+,61-53+,62-52+,62-54+
InChI key: JNXQRKAWJNJRGI-MOTGMDRSSA-N
SMILES: CC(=O)Nc1ccnc(c1)c1cc(NC(=O)c2ccc(cc2)/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2c(C)cc(C)cc2C)[nH]5)/c2ccc(cc2)C(=O)O)/C=C4)\c2c(C)cc(C)cc2C)/[nH]3)ccn1
Systematic name  (4):
  • 4-[5,15-ジメシチル-10-[4-[[4′-(アセチルアミノ)-2,2′-ビピリジン-4-イル]カルバモイル]フェニル]-21H,23H-ポルフィリン-20-イル]安息香酸
  • 5-(4-カルボキシフェニル)-10,20-ジメシチル-15-[4-[[4′-(アセチルアミノ)-2,2′-ビピリジン-4-イル]カルバモイル]フェニル]-21H,23H-ポルフィリン
  • 4-{12-[4-({4'-アセトアミド-[2,2'-ビピリジン]-4-イル}カルバモイル)フェニル]-7,17-ビス(2,4,6-トリメチルフェニル)-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}安息香酸
  • 4-{12-[4-({4'-acetamido-[2,2'-bipyridin]-4-yl}carbamoyl)phenyl]-7,17-bis(2,4,6-trimethylphenyl)-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}benzoic acid
Other name (2):
  • 4-[5,15-Dimesityl-10-[4-[[4′-(acetylamino)-2,2′-bipyridine-4-yl]carbamoyl]phenyl]-21H,23H-porphyrin-20-yl]benzoic acid
  • 5-(4-Carboxyphenyl)-10,20-dimesityl-15-[4-[[4′-(acetylamino)-2,2′-bipyridine-4-yl]carbamoyl]phenyl]-21H,23H-porphyrin
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