C264H173N13 — CID 159686435
12-[3,5-bis(4-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole (PubChem CID 159686435) has the molecular formula C264H173N13 and a molecular weight of 3527.38 g/mol. Its IUPAC name is 12-[3,5-bis(4-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole.
| Compound Name | 12-[3,5-bis(4-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 159686435 |
| Molecular Formula | C264H173N13 |
| Molecular Weight | 3527.38 g/mol |
| Exact Mass | 3524.39 |
| IUPAC Name | 12-[3,5-bis(4-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)cc3ccccc23)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7ccccc67)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4c32)cc1 |
| InChI | InChI=1S/C54H36N2.C48H32N2.C42H27N3.3C40H26N2/c1-4-14-37(15-5-1)39-24-28-41(29-25-39)43-34-44(42-30-26-40(27-31-42)38-16-6-2-7-17-38)36-46(35-43)56-52-23-13-11-21-48(52)50-33-32-49-47-20-10-12-22-51(47)55(53(49)54(50)56)45-18-8-3-9-19-45;1-4-14-33(15-5-1)36-30-37(34-16-6-2-7-17-34)32-38(31-36)35-24-26-40(27-25-35)50-46-23-13-11-21-42(46)44-29-28-43-41-20-10-12-22-45(41)49(47(43)48(44)50)39-18-8-3-9-19-39;1-2-12-28(13-3-1)44-39-20-10-6-16-33(39)35-26-27-36-34-17-7-11-21-40(34)45(42(36)41(35)44)30-24-22-29(23-25-30)43-37-18-8-4-14-31(37)32-15-5-9-19-38(32)43;1-3-13-27(14-4-1)34-24-30(23-28-15-7-8-18-31(28)34)42-38-22-12-10-20-33(38)36-25-35-32-19-9-11-21-37(32)41(39(35)26-40(36)42)29-16-5-2-6-17-29;1-3-13-27(14-4-1)36-26-30(25-28-15-7-8-18-31(28)36)42-38-22-12-10-20-33(38)35-24-23-34-32-19-9-11-21-37(32)41(39(34)40(35)42)29-16-5-2-6-17-29;1-2-13-29(14-3-1)41-37-19-8-6-16-33(37)35-25-26-36-34-17-7-9-20-38(34)42(40(36)39(35)41)30-23-21-28(22-24-30)32-18-10-12-27-11-4-5-15-31(27)32/h1-36H;1-32H;1-27H;3*1-26H |
| InChIKey | MVVZBQCLQUELDJ-UHFFFAOYSA-N |
| XLogP | 70.51 |
| TPSA | 64.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 277 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3527.38 |
| LogP ≤ 5 | 70.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |