Chem
J-GLOBAL ID:200907078868361327   Nikkaji number:J1.869.374G

4-(5,15,20-Triphenyl-21H,23H-porphyrin-10-yl)phenyl isocyanate

4-(5,15,20-トリフェニル-21H,23H-ポルフィリン-10-イル)フェニルイソシアナート
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: C45H29N5O
Molecular formula furigana: C45-H29-N5-O
Molecular weight: 655.761
InChI: InChI=1S/C45H29N5O/c51-28-46-33-18-16-32(17-19-33)45-40-26-24-38(49-40)43(30-12-6-2-7-13-30)36-22-20-34(47-36)42(29-10-4-1-5-11-29)35-21-23-37(48-35)44(31-14-8-3-9-15-31)39-25-27-41(45)50-39/h1-27,47,50H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChI key: VRIYZGCTXVCZEF-HIXPDHBDSA-N
SMILES: O=C=Nc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2
Systematic name  (3):
  • 4-(5,15,20-トリフェニル-21H,23H-ポルフィリン-10-イル)フェニルイソシアナート
  • 12-(4-イソシアナトフェニル)-2,7,17-トリフェニル-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
  • 12-(4-isocyanatophenyl)-2,7,17-triphenyl-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-undecaene
Other name (1):
  • 4-(5,15,20-Triphenyl-21H,23H-porphyrin-10-yl)phenyl isocyanate
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