2,2'-[[4,4,9,9-Tetrakis(4-hexylphenyl)-4,9-dihydrothieno[3',2':4,5]cyclopenta[1,2-b]thieno[2'',3'':3',4']cyclopenta[1',2':4,5]thieno[2,3-d]thiophene-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-dihydrothieno[3',2':4,5]cyclopenta[1,2-b]thieno[2'',3'':3',4']cyclopenta[1',2':4,5]thieno[2,3-d]thiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile] · CAS 2127354-15-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2,2'-[[4,4,9,9-Tetrakis(4-hexylphenyl)-4,9-dihydrothieno[3',2':4,5]cyclopenta[1,2-b]thieno[2'',3'':3',4']cyclopenta[1',2':4,5]thieno[2,3-d]thiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]
- CAS
- 2127354-15-6
- CID
- 139035248
- IUPAC 名称
- 2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,13,13-tetrakis(4-hexylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),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
- 2,2'-[[4,4,9,9-Tetrakis(4-hexylphenyl)-4,9-dihydrothieno[3',2':4,5]cyclopenta[1,2-b]thieno[2'',3'':3',4']cyclopenta[1',2':4,5]thieno[2,3-d]thiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]
- CAS
- 2127354-15-6
- CID
- 139035248
- IUPAC 名称
- 2-[2-[[16-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,13,13-tetrakis(4-hexylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
分子属性
- 分子式
- C90H80N4O2S4
- 分子量
- 1377.9 g/mol
- 精确质量
- 1376.5164125 Da
- 单同位素质量
- 1376.5164125 Da
- XLogP
- 26.2
- 极性表面积
- 242 Ų
- 氢键供体
- 0
- 氢键受体
- 10
- 可旋转键
- 26
- 重原子数
- 100
- 净电荷
- 0
- 结构复杂度
- 2900
结构标识
- InChIKey
- NPHISPRTXGOURB-UHFFFAOYSA-N
- SMILES
- CCCCCCC1=CC=C(C=C1)C2(C3=C(C4=C2C5=C(S4)C6=C(S5)C7=C(C6(C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC)C=C(S7)C=C1C(=C(C#N)C#N)C2=CC=CC=C2C1=O)SC(=C3)C=C1C(=C(C#N)C#N)C2=CC=CC=C2C1=O)C1=CC=C(C=C1)CCCCCC
- InChI
- InChI=1S/C90H80N4O2S4/c1-5-9-13-17-25-57-33-41-63(42-34-57)89(64-43-35-58(36-44-64)26-18-14-10-6-2)75-51-67(49-73-77(61(53-91)54-92)69-29-21-23-31-71(69)81(73)95)97-83(75)85-79(89)87-88(99-85)80-86(100-87)84-76(52-68(98-84)50-74-78(62(55-93)56-94)70-30-22-24-32-72(70)82(74)96)90(80,65-45-37-59(38-46-65)27-19-15-11-7-3)66-47-39-60(40-48-66)28-20-16-12-8-4/h21-24,29-52H,5-20,25-28H2,1-4H3