C256H168N20S4 — CID 159669988
5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 159669988) has the molecular formula C256H168N20S4 and a molecular weight of 3652.57 g/mol. Its IUPAC name is 5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
| Compound Name | 5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
|---|---|
| PubChem CID | 159669988 |
| Molecular Formula | C256H168N20S4 |
| Molecular Weight | 3652.57 g/mol |
| Exact Mass | 3649.26 |
| IUPAC Name | 5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ncccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1 |
| InChI | InChI=1S/C51H32N4S.C43H31N3.C42H30N4.C41H26N2S.C40H25N3S.C39H24N4S/c1-3-10-33(11-4-1)35-17-21-37(22-18-35)44-32-45(38-23-19-36(20-24-38)34-12-5-2-6-13-34)54-51(53-44)55-46-27-25-39(31-43(46)50-47(55)15-9-29-52-50)40-26-28-49-42(30-40)41-14-7-8-16-48(41)56-49;1-43(2)36-19-11-9-17-32(36)33-23-21-31(26-37(33)43)30-22-24-41-35(25-30)34-18-10-12-20-40(34)46(41)42-44-38(28-13-5-3-6-14-28)27-39(45-42)29-15-7-4-8-16-29;1-42(2)35-19-11-9-17-31(35)32-23-21-30(26-36(32)42)29-22-24-38-34(25-29)33-18-10-12-20-37(33)46(38)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-3-11-27(12-4-1)31-25-36(28-13-5-2-6-14-28)42-41(26-31)43-37-17-9-7-15-32(37)34-23-29(19-21-38(34)43)30-20-22-40-35(24-30)33-16-8-10-18-39(33)44-40;1-3-11-26(12-4-1)34-25-35(27-13-5-2-6-14-27)42-40(41-34)43-36-17-9-7-15-30(36)32-23-28(19-21-37(32)43)29-20-22-39-33(24-29)31-16-8-10-18-38(31)44-39;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-33-17-9-7-15-29(33)31-23-27(19-21-34(31)43)28-20-22-36-32(24-28)30-16-8-10-18-35(30)44-36/h1-32H;3-27H,1-2H3;3-26H,1-2H3;1-26H;1-25H;1-24H |
| InChIKey | MTWLJSTUYJRKOR-UHFFFAOYSA-N |
| XLogP | 67.66 |
| TPSA | 210.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3652.57 |
| LogP ≤ 5 | 67.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |