Chem
J-GLOBAL ID：200907001670812070   Nikkaji number：J2.320.824E

5-[4-(1,1-Diallyl-3-butenyl)phenyl]-10,20-bis(4-methylphenyl)-21H,23H-porphyrin

5-[4-(1,1-ジアリル-3-ブテニル)フェニル]-10,20-ビス(4-メチルフェニル)-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： C50H44N4
Molecular formula furigana： C50-H44-N4
Molecular weight： 700.930
InChI： InChI=1S/C50H44N4/c1-6-29-50(30-7-2,31-8-3)38-19-17-37(18-20-38)49-45-27-25-43(53-45)47(35-13-9-33(4)10-14-35)41-23-21-39(51-41)32-40-22-24-42(52-40)48(44-26-28-46(49)54-44)36-15-11-34(5)12-16-36/h6-28,32,51,54H,1-3,29-31H2,4-5H3/b39-32-,40-32-,47-41-,47-43-,48-42-,48-44-,49-45-,49-46-
InChI key： RGOKLDKAAYUCNK-DITLNXLLSA-N
SMILES： Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C=C\5/C=CC1=N5)[nH]4)/c1ccc(C)cc1)/C=C3)\c1ccc(cc1)C(CC=C)(CC=C)CC=C)/[nH]2
Systematic name  (3)：
  • 5-[4-(1,1-ジアリル-3-ブテニル)フェニル]-10,20-ビス(4-メチルフェニル)-21H,23H-ポルフィリン
  • 2,12-ビス(4-メチルフェニル)-17-{4-[4-(プロパ-2-エン-1-イル)ヘプタ-1,6-ジエン-4-イル]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
  • 2,12-bis(4-methylphenyl)-17-{4-[4-(prop-2-en-1-yl)hepta-1,6-dien-4-yl]phenyl}-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)：
  • 5-[4-(1,1-Diallyl-3-butenyl)phenyl]-10,20-bis(4-methylphenyl)-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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