Chem
J-GLOBAL ID:200907017252934219
Nikkaji number:J2.118.150A
5,15-Bis(2,4,6-trimethylphenyl)-10,20-bis(2,6-dibromophenyl)-21H,23H-porphyrin
5,15-ビス(2,4,6-トリメチルフェニル)-10,20-ビス(2,6-ジブロモフェニル)-21H,23H-ポルフィリン
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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:
C50 H38 Br4 N4
Molecular formula furigana:
C50-H38-BR4-N4
Molecular weight:
1014.498
InChI:
InChI=1S/C50H38Br4N4/c1-25-21-27(3)43(28(4)22-25)47-35-13-17-39(55-35)49(45-31(51)9-7-10-32(45)52)41-19-15-37(57-41)48(44-29(5)23-26(2)24-30(44)6)38-16-20-42(58-38)50(40-18-14-36(47)56-40)46-33(53)11-8-12-34(46)54/h7-24,55,58H,1-6H3/b47-35+,47-36+,48-37+,48-38+,49-39+,49-41+,50-40+,50-42+
InChI key:
UVLCBHBWJOFONU-BKCBNECLSA-N
SMILES:
Cc1cc(C)c(c(C)c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c(Br)cccc1Br)[nH]4)/c1c(C)cc(C)cc1C)/C=C3)\c1c(Br)cccc1Br)/[nH]2
Systematic name (3):
5,15-ビス(2,4,6-トリメチルフェニル)-10,20-ビス(2,6-ジブロモフェニル)-21H,23H-ポルフィリン
2,12-ビス(2,6-ジブロモフェニル)-7,17-ビス(2,4,6-トリメチルフェニル)-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(2,6-dibromophenyl)-7,17-bis(2,4,6-trimethylphenyl)-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):
5,15-Bis(2,4,6-trimethylphenyl)-10,20-bis(2,6-dibromophenyl)-21H,23H-porphyrin
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