C236H168N8 — CID 158255818
3-[9-[3-[3-[4-(3,5-dimethylphenyl)phenyl]-4,5-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[5-(3,5-dimethylphenyl)-2-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 158255818) has the molecular formula C236H168N8 and a molecular weight of 3116.00 g/mol. Its IUPAC name is 3-[9-[3-[3-[4-(3,5-dimethylphenyl)phenyl]-4,5-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[5-(3,5-dimethylphenyl)-2-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
| Compound Name | 3-[9-[3-[3-[4-(3,5-dimethylphenyl)phenyl]-4,5-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[5-(3,5-dimethylphenyl)-2-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 158255818 |
| Molecular Formula | C236H168N8 |
| Molecular Weight | 3116.00 g/mol |
| Exact Mass | 3113.34 |
| IUPAC Name | 3-[9-[3-[3-[4-(3,5-dimethylphenyl)phenyl]-4,5-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[5-(3,5-dimethylphenyl)-2-phenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole |
| SMILES | Cc1cc(C)cc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)c1.Cc1cc(C)cc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc(-c4ccccc4)c3-c3ccccc3)cc2)c1.Cc1cc(C)cc(-c2ccc(-c3ccccc3)c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3-c3ccccc3)c2)c1 |
| InChI | InChI=1S/C68H48N2.3C56H40N2/c1-45-37-46(2)39-54(38-45)47-29-31-49(32-30-47)61-44-55(43-60(48-17-6-3-7-18-48)68(61)50-19-8-4-9-20-50)51-21-16-24-57(40-51)70-65-28-15-13-26-59(65)63-42-53(34-36-67(63)70)52-33-35-66-62(41-52)58-25-12-14-27-64(58)69(66)56-22-10-5-11-23-56;1-37-30-38(2)32-44(31-37)40-16-13-17-43(33-40)47-27-26-46(36-50(47)39-14-5-3-6-15-39)58-54-23-12-10-21-49(54)52-35-42(25-29-56(52)58)41-24-28-55-51(34-41)48-20-9-11-22-53(48)57(55)45-18-7-4-8-19-45;1-37-31-38(2)33-44(32-37)43-23-28-47(39-13-5-3-6-14-39)50(34-43)40-21-26-46(27-22-40)58-54-20-12-10-18-49(54)52-36-42(25-30-56(52)58)41-24-29-55-51(35-41)48-17-9-11-19-53(48)57(55)45-15-7-4-8-16-45;1-37-29-38(2)31-43(30-37)46-33-44(39-13-5-3-6-14-39)32-45(34-46)40-21-25-48(26-22-40)58-54-20-12-10-18-50(54)52-36-42(24-28-56(52)58)41-23-27-55-51(35-41)49-17-9-11-19-53(49)57(55)47-15-7-4-8-16-47/h3-44H,1-2H3;3*3-36H,1-2H3 |
| InChIKey | GHGRSVHNVRGZSJ-UHFFFAOYSA-N |
| XLogP | 64.00 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 244 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3116.00 |
| LogP ≤ 5 | 64.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |