C243H158N16 — CID 157299576
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-phenylcarbazole;3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole;2,7-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole (PubChem CID 157299576) has the molecular formula C243H158N16 and a molecular weight of 3302.05 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-phenylcarbazole;3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole;2,7-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole.
| Compound Name | 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-phenylcarbazole;3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole;2,7-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole |
|---|---|
| PubChem CID | 157299576 |
| Molecular Formula | C243H158N16 |
| Molecular Weight | 3302.05 g/mol |
| Exact Mass | 3299.29 |
| IUPAC Name | 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-phenylcarbazole;3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole;2,7-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4cc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)cc4c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c(-c5ccccc5)cccc43)cc2)cc1 |
| InChI | InChI=1S/C93H60N6.2C75H49N5/c1-7-27-61(28-8-1)63-47-51-67(52-48-63)78-55-71(93-95-91(69-35-15-5-16-36-69)94-92(96-93)70-37-17-6-18-38-70)56-79(68-53-49-64(50-54-68)62-29-9-2-10-30-62)90(78)99-88-59-86(97-82-43-23-19-39-72(82)73-40-20-24-44-83(73)97)76(65-31-11-3-12-32-65)57-80(88)81-58-77(66-33-13-4-14-34-66)87(60-89(81)99)98-84-45-25-21-41-74(84)75-42-22-26-46-85(75)98;1-6-21-50(22-7-1)52-37-41-55(42-38-52)64-47-59(75-77-73(57-27-12-4-13-28-57)76-74(78-75)58-29-14-5-15-30-58)48-65(56-43-39-53(40-44-56)51-23-8-2-9-24-51)72(64)80-69-46-45-60(79-67-34-18-16-31-62(67)63-32-17-19-35-68(63)79)49-66(69)71-61(33-20-36-70(71)80)54-25-10-3-11-26-54;1-6-20-50(21-7-1)53-34-38-55(39-35-53)65-47-60(75-77-73(57-26-12-4-13-27-57)76-74(78-75)58-28-14-5-15-29-58)48-66(56-40-36-54(37-41-56)51-22-8-2-9-23-51)72(65)80-70-45-42-59(52-24-10-3-11-25-52)46-67(70)64-44-43-61(49-71(64)80)79-68-32-18-16-30-62(68)63-31-17-19-33-69(63)79/h1-60H;2*1-49H |
| InChIKey | BBSYUVAQUGZMMG-UHFFFAOYSA-N |
| XLogP | 62.97 |
| TPSA | 150.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 259 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3302.05 |
| LogP ≤ 5 | 62.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |