Chem
J-GLOBAL ID：201407045062413852   Nikkaji number：J3.284.751J

5-(3-Cyanophenyl)-10,15,20-triphenyl-21H,23H-porphyrin

5-(3-シアノフェニル)-10,15,20-トリフェニル-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： C45H29N5
Molecular formula furigana： C45-H29-N5
Molecular weight： 639.762
InChI： InChI=1S/C45H29N5/c46-28-29-11-10-18-33(27-29)45-40-25-23-38(49-40)43(31-14-6-2-7-15-31)36-21-19-34(47-36)42(30-12-4-1-5-13-30)35-20-22-37(48-35)44(32-16-8-3-9-17-32)39-24-26-41(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： YGMXAXXLSOFOKD-HIXPDHBDSA-N
SMILES： N#Cc1cccc(c1)/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)：
  • 5-(3-シアノフェニル)-10,15,20-トリフェニル-21H,23H-ポルフィリン
  • 3-{7,12,17-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}ベンゾニトリル
  • 3-{7,12,17-triphenyl-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}benzonitrile
Other name (1)：
  • 5-(3-Cyanophenyl)-10,15,20-triphenyl-21H,23H-porphyrin
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