C298H220N16OS2 — CID 159301226
9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-dimethylcarbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole (PubChem CID 159301226) has the molecular formula C298H220N16OS2 and a molecular weight of 4105.28 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-dimethylcarbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole.
| Compound Name | 9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-dimethylcarbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole |
|---|---|
| PubChem CID | 159301226 |
| Molecular Formula | C298H220N16OS2 |
| Molecular Weight | 4105.28 g/mol |
| Exact Mass | 4101.71 |
| IUPAC Name | 9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-dimethylcarbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole |
| SMILES | CC(C)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(C(C)(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(Cc2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(Cc3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCCCC2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(Oc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1 |
| InChI | InChI=1S/C61H42N2.C48H40N2.C42H34N2.C41H34N2.C36H24N2O.C36H24N2S.C34H22N4S/c1-5-13-44(14-6-1)48-25-33-58-54(38-48)55-39-49(45-15-7-2-8-16-45)26-34-59(55)62(58)52-29-21-42(22-30-52)37-43-23-31-53(32-24-43)63-60-35-27-50(46-17-9-3-10-18-46)40-56(60)57-41-51(28-36-61(57)63)47-19-11-4-12-20-47;1-47(2,35-25-29-37(30-26-35)49-43-17-9-5-13-39(43)40-14-6-10-18-44(40)49)33-21-23-34(24-22-33)48(3,4)36-27-31-38(32-28-36)50-45-19-11-7-15-41(45)42-16-8-12-20-46(42)50;1-10-28-42(29-11-1,30-20-24-32(25-21-30)43-38-16-6-2-12-34(38)35-13-3-7-17-39(35)43)31-22-26-33(27-23-31)44-40-18-8-4-14-36(40)37-15-5-9-19-41(37)44;1-26-5-17-38-34(21-26)35-22-27(2)6-18-39(35)42(38)32-13-9-30(10-14-32)25-31-11-15-33(16-12-31)43-40-19-7-28(3)23-36(40)37-24-29(4)8-20-41(37)43;2*1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)25-17-21-27(22-18-25)39-28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-3-7-31-27(5-1)29-21-35-19-17-33(29)37(31)23-9-13-25(14-10-23)39-26-15-11-24(12-16-26)38-32-8-4-2-6-28(32)30-22-36-20-18-34(30)38/h1-36,38-41H,37H2;5-32H,1-4H3;2-9,12-27H,1,10-11,28-29H2;5-24H,25H2,1-4H3;2*1-24H;1-22H |
| InChIKey | LBIZUUOJDMDRIZ-UHFFFAOYSA-N |
| XLogP | 79.04 |
| TPSA | 104.03 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 317 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4105.28 |
| LogP ≤ 5 | 79.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |