C132H88N4 — CID 161263241
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 161263241) has the molecular formula C132H88N4 and a molecular weight of 1730.18 g/mol. Its IUPAC name is 3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole.
| Compound Name | 3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 161263241 |
| Molecular Formula | C132H88N4 |
| Molecular Weight | 1730.18 g/mol |
| Exact Mass | 1728.70 |
| IUPAC Name | 3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)cc5)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7)c6)c5)c4)ccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/2C66H44N2/c1-4-16-45(17-5-1)54-32-35-65-61(42-54)62-44-56(34-37-66(62)68(65)58-28-8-3-9-29-58)53-25-15-23-51(41-53)49-21-13-19-47(39-49)46-18-12-20-48(38-46)50-22-14-24-52(40-50)55-33-36-64-60(43-55)59-30-10-11-31-63(59)67(64)57-26-6-2-7-27-57;1-4-12-45(13-5-1)54-36-40-65-61(43-54)62-44-56(38-41-66(62)68(65)58-16-8-3-9-17-58)53-34-30-51(31-35-53)49-26-22-47(23-27-49)46-20-24-48(25-21-46)50-28-32-52(33-29-50)55-37-39-64-60(42-55)59-18-10-11-19-63(59)67(64)57-14-6-2-7-15-57/h2*1-44H |
| InChIKey | VCVLSFGPRJSEDG-UHFFFAOYSA-N |
| XLogP | 35.77 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 136 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1730.18 |
| LogP ≤ 5 | 35.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |