Chem
J-GLOBAL ID:200907001494854925   Nikkaji number:J2.302.017C

5,10-Bis(4-tert-butylphenyl)-15,20-bis[4-[(4′-methyl-2,2′-bipyridine-4-yl)carbonylamino]phenyl]-21H,23H-porphyrin

5,10-ビス(4-tert-ブチルフェニル)-15,20-ビス[4-[(4′-メチル-2,2′-ビピリジン-4-イル)カルボニルアミノ]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: C76H64N10O2
Molecular formula furigana: C76-H64-N10-O2
Molecular weight: 1149.416
InChI: InChI=1S/C76H64N10O2/c1-45-33-37-77-65(41-45)67-43-51(35-39-79-67)73(87)81-55-21-13-49(14-22-55)71-61-29-27-59(84-61)69(47-9-17-53(18-10-47)75(3,4)5)57-25-26-58(83-57)70(48-11-19-54(20-12-48)76(6,7)8)60-28-30-62(85-60)72(64-32-31-63(71)86-64)50-15-23-56(24-16-50)82-74(88)52-36-40-80-68(44-52)66-42-46(2)34-38-78-66/h9-44,84-85H,1-8H3,(H,81,87)(H,82,88)/b69-57-,69-59-,70-58-,70-60-,71-61-,71-63-,72-62-,72-64-
InChI key: VXHFKPXAFMWWJM-VMXFCJJOSA-N
SMILES: Cc1ccnc(c1)c1cc(ccn1)C(=O)Nc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(NC(=O)c5ccnc(c5)c5cc(C)ccn5)cc1)[nH]4)/c1ccc(cc1)C(C)(C)C)/C=C3)\c1ccc(cc1)C(C)(C)C)/[nH]2
Systematic name  (3):
  • 5,10-ビス(4-tert-ブチルフェニル)-15,20-ビス[4-[(4′-メチル-2,2′-ビピリジン-4-イル)カルボニルアミノ]フェニル]-21H,23H-ポルフィリン
  • N-{4-[12,17-ビス(4-tert-ブチルフェニル)-7-(4-{4'-メチル-[2,2'-ビピリジン]-4-アミド}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}-4'-メチル-[2,2'-ビピリジン]-4-カルボキサミド
  • N-{4-[12,17-bis(4-tert-butylphenyl)-7-(4-{4'-methyl-[2,2'-bipyridine]-4-amido}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]phenyl}-4'-methyl-[2,2'-bipyridine]-4-carboxamide
Other name (1):
  • 5,10-Bis(4-tert-butylphenyl)-15,20-bis[4-[(4′-methyl-2,2′-bipyridine-4-yl)carbonylamino]phenyl]-21H,23H-porphyrin
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