Chem
J-GLOBAL ID:200907026246420857   Nikkaji number:J1.103.799B

2,13-Dimethyl-3,12-diethyl-7,8-[1,8]naphthaleno-18a-homo-24-carba-21H,23H-porphyrin-18a-one

2,13-ジメチル-3,12-ジエチル-7,8-[1,8]ナフタレノ-18a-ホモ-24-カルバ-21H,23H-ポルフィリン-18a-オン
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: C38H31N3O
Molecular formula furigana: C38-H31-N3-O
Molecular weight: 545.686
InChI: InChI=1S/C38H31N3O/c1-5-25-20(3)29-16-22-13-14-35(42)24(15-22)17-30-21(4)26(6-2)32(40-30)19-34-38-28-12-8-10-23-9-7-11-27(36(23)28)37(38)33(41-34)18-31(25)39-29/h7-19,39-40H,5-6H2,1-4H3/b22-16+,24-17-,29-16-,30-17-,31-18-,32-19-,33-18-,34-19-
InChI key: VZCHWGSNSWPOHF-LZTYXWCSSA-N
SMILES: CCc1c(C)c2/C=C/3\C=CC(=O)C(=C3)/C=c/3\[nH]/c(=C\c4n/c(=C\c1[nH]2)/c1=c4c2cccc4cccc1c24)/c(CC)c3C
Systematic name  (3):
  • 2,13-ジメチル-3,12-ジエチル-7,8-[1,8]ナフタレノ-18a-ホモ-24-カルバ-21H,23H-ポルフィリン-18a-オン
  • 4,16-ジエチル-5,15-ジメチル-31,33,35-トリアザオクタシクロ[17.11.1.13,6.18,12.114,17.121,25.020,30.029,32]ペンタトリアコンタ-1(31),2,4,6,8(34),10,12,14,16,18,20(30),21(32),22,24,26,28-ヘキサデカエン-9-オン
  • 4,16-diethyl-5,15-dimethyl-31,33,35-triazaoctacyclo[17.11.1.13,6.18,12.114,17.121,25.020,30.029,32]pentatriaconta-1(31),2,4,6,8(34),10,12,14,16,18,20(30),21(32),22,24,26,28-hexadecaen-9-one
Other name (1):
  • 2,13-Dimethyl-3,12-diethyl-7,8-[1,8]naphthaleno-18a-homo-24-carba-21H,23H-porphyrin-18a-one
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