C202H134N10 — CID 161004929
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole (PubChem CID 161004929) has the molecular formula C202H134N10 and a molecular weight of 2701.36 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole.
| Compound Name | 9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 161004929 |
| Molecular Formula | C202H134N10 |
| Molecular Weight | 2701.36 g/mol |
| Exact Mass | 2699.08 |
| IUPAC Name | 9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1 |
| InChI | InChI=1S/C60H38N4.C60H40N2.C42H29N.C40H27N3/c1-9-25-53-45(17-1)46-18-2-10-26-54(46)61(53)41-33-39(34-42(37-41)62-55-27-11-3-19-47(55)48-20-4-12-28-56(48)62)40-35-43(63-57-29-13-5-21-49(57)50-22-6-14-30-58(50)63)38-44(36-40)64-59-31-15-7-23-51(59)52-24-8-16-32-60(52)64;1-3-15-41(16-4-1)45-35-47(43-27-31-51(32-28-43)61-57-23-11-7-19-53(57)54-20-8-12-24-58(54)61)39-49(37-45)50-38-46(42-17-5-2-6-18-42)36-48(40-50)44-29-33-52(34-30-44)62-59-25-13-9-21-55(59)56-22-10-14-26-60(56)62;1-3-12-30(13-4-1)33-16-11-17-34(26-33)37-28-35(31-14-5-2-6-15-31)27-36(29-37)32-22-24-38(25-23-32)43-41-20-9-7-18-39(41)40-19-8-10-21-42(40)43;1-3-11-30(12-4-1)36-27-37(42-40(41-36)32-13-5-2-6-14-32)31-21-19-28(20-22-31)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43/h1-38H;1-40H;1-29H;1-27H |
| InChIKey | TWJNPNKCNYSEOL-UHFFFAOYSA-N |
| XLogP | 53.65 |
| TPSA | 65.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 212 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2701.36 |
| LogP ≤ 5 | 53.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |