Chem
J-GLOBAL ID:200907026236252115
Nikkaji number:J2.660.435D
2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4′-[phenyl(m-tolyl)amino]-4-biphenylyl]ethynyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
2,9-ビス(2,6-ジイソプロピルフェニル)-5,12-ビス[[4′-[フェニル(m-トリル)アミノ]-4-ビフェニリル]エチニル]アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
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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:
C102 H80 N4 O4
Molecular formula furigana:
C102-H80-N4-O4
Molecular weight:
1425.786
InChI:
InChI=1S/C102H80N4O4/c1-61(2)81-29-19-30-82(62(3)4)97(81)105-99(107)87-55-53-85-92-74(44-38-68-35-41-70(42-36-68)72-47-51-78(52-48-72)104(76-25-15-12-16-26-76)80-28-18-22-66(10)58-80)60-90-94-88(100(108)106(102(90)110)98-83(63(5)6)31-20-32-84(98)64(7)8)56-54-86(96(92)94)91-73(59-89(101(105)109)93(87)95(85)91)43-37-67-33-39-69(40-34-67)71-45-49-77(50-46-71)103(75-23-13-11-14-24-75)79-27-17-21-65(9)57-79/h11-36,39-42,45-64H,1-10H3
InChI key:
BFBVYQHUIZAFQZ-UHFFFAOYSA-N
SMILES:
CC(C)c1cccc(C(C)C)c1n1c(=O)c2ccc3c4c(cc5c6c(ccc(c7c(cc(c2c37)c1=O)C#Cc1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1cccc(C)c1)c46)c(=O)n(c1c(cccc1C(C)C)C(C)C)c5=O)C#Cc1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1cccc(C)c1
Systematic name (4):
5,12-ビス[[4′-[フェニル(3-メチルフェニル)アミノ]-4-ビフェニリル]エチニル]-2,9-ビス(2,6-ジイソプロピルフェニル)アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
2,9-ビス(2,6-ジイソプロピルフェニル)-5,12-ビス[[4′-[フェニル(m-トリル)アミノ]-4-ビフェニリル]エチニル]アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
7,18-ビス[2,6-ビス(プロパン-2-イル)フェニル]-11,22-ビス(2-{4'-[(3-メチルフェニル)(フェニル)アミノ]-[1,1'-ビフェニル]-4-イル}エチニル)-7,18-ジアザヘプタシクロ[14.6.2.22,5 .03,12 .04,9 .013,23 .020,24 ]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-6,8,17,19-テトラオン
7,18-bis[2,6-bis(propan-2-yl)phenyl]-11,22-bis(2-{4'-[(3-methylphenyl)(phenyl)amino]-[1,1'-biphenyl]-4-yl}ethynyl)-7,18-diazaheptacyclo[14.6.2.22,5 .03,12 .04,9 .013,23 .020,24 ]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
Other name (2):
5,12-Bis[[4′-[phenyl(3-methylphenyl)amino]-4-biphenylyl]ethynyl]-2,9-bis(2,6-diisopropylphenyl)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
2,9-Bis(2,6-diisopropylphenyl)-5,12-bis[[4′-[phenyl(m-tolyl)amino]-4-biphenylyl]ethynyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
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