Propanedinitrile, 2,2'-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis-
Propanedinitrile, 2,2'-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis- · CAS 2095504-33-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Propanedinitrile, 2,2'-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis-
- CAS
- 2095504-33-7
- CID
- 145710057
- IUPAC 名称
- 2-[(2Z)-2-[[15-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Propanedinitrile, 2,2'-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis-
- CAS
- 2095504-33-7
- CID
- 145710057
- IUPAC 名称
- 2-[(2Z)-2-[[15-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
分子属性
- 分子式
- C90H82N4O2S2
- 分子量
- 1315.8 g/mol
- 精确质量
- 1314.58792022 Da
- 单同位素质量
- 1314.58792022 Da
- XLogP
- 25.3
- 极性表面积
- 186 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 26
- 重原子数
- 98
- 净电荷
- 0
- 结构复杂度
- 2790
结构标识
- InChIKey
- HPGKMAMXRHTGPJ-VFZXRLAXSA-N
- SMILES
- CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C=C(S5)/C=C/6\C(=C(C#N)C#N)C7=CC=CC=C7C6=O)C(C8=C4SC(=C8)/C=C\9/C(=C(C#N)C#N)C1=CC=CC=C1C9=O)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC
- InChI
- InChI=1S/C90H82N4O2S2/c1-5-9-13-17-25-59-33-41-65(42-34-59)89(66-43-35-60(36-44-66)26-18-14-10-6-2)79-53-76-80(54-75(79)87-81(89)51-69(97-87)49-77-83(63(55-91)56-92)71-29-21-23-31-73(71)85(77)95)90(67-45-37-61(38-46-67)27-19-15-11-7-3,68-47-39-62(40-48-68)28-20-16-12-8-4)82-52-70(98-88(76)82)50-78-84(64(57-93)58-94)72-30-22-24-32-74(72)86(78)96/h21-24,29-54H,5-20,25-28H2,1-4H3/b77-49-,78-50+