C153H106N8 — CID 160662276
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 160662276) has the molecular formula C153H106N8 and a molecular weight of 2056.59 g/mol. Its IUPAC name is 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole.
| Compound Name | 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 160662276 |
| Molecular Formula | C153H106N8 |
| Molecular Weight | 2056.59 g/mol |
| Exact Mass | 2054.85 |
| IUPAC Name | 5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cccc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)c5)c4)c3cc21.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)c4c32)cc1 |
| InChI | InChI=1S/C54H34N4.C54H40N2.C45H32N2/c1-3-16-35(17-4-1)55-47-26-11-7-22-39(47)43-30-32-45-41-24-9-13-28-49(41)57(53(45)51(43)55)37-20-15-21-38(34-37)58-50-29-14-10-25-42(50)46-33-31-44-40-23-8-12-27-48(40)56(52(44)54(46)58)36-18-5-2-6-19-36;1-53(2)45-23-9-5-19-37(45)41-29-43-39-21-7-11-25-49(39)55(51(43)31-47(41)53)35-17-13-15-33(27-35)34-16-14-18-36(28-34)56-50-26-12-8-22-40(50)44-30-42-38-20-6-10-24-46(38)54(3,4)48(42)32-52(44)56;1-45(2)39-20-9-6-17-33(39)36-27-38-35-19-8-11-22-42(35)47(44(38)28-40(36)45)32-16-12-13-29(25-32)30-23-24-43-37(26-30)34-18-7-10-21-41(34)46(43)31-14-4-3-5-15-31/h1-34H;5-32H,1-4H3;3-28H,1-2H3 |
| InChIKey | RLVHMKFFRIHHEQ-UHFFFAOYSA-N |
| XLogP | 40.09 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 161 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2056.59 |
| LogP ≤ 5 | 40.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |