C155H100N14 — CID 158350657
11,12-bis[3-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole;12-(3-carbazol-9-ylphenyl)-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 158350657) has the molecular formula C155H100N14 and a molecular weight of 2158.60 g/mol. Its IUPAC name is 11,12-bis[3-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole;12-(3-carbazol-9-ylphenyl)-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.
| Compound Name | 11,12-bis[3-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole;12-(3-carbazol-9-ylphenyl)-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 158350657 |
| Molecular Formula | C155H100N14 |
| Molecular Weight | 2158.60 g/mol |
| Exact Mass | 2156.83 |
| IUPAC Name | 11,12-bis[3-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole;12-(3-carbazol-9-ylphenyl)-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8cccc(-c9ccccc9)n8)c7)c6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6c54)c3)n2)cc1 |
| InChI | InChI=1S/C57H36N6.C52H34N4.C46H30N4/c1-3-17-37(18-4-1)55-58-56(38-19-5-2-6-20-38)60-57(59-55)39-21-15-22-40(35-39)62-51-31-13-9-27-45(51)47-33-34-48-46-28-10-14-32-52(46)63(54(48)53(47)62)42-24-16-23-41(36-42)61-49-29-11-7-25-43(49)44-26-8-12-30-50(44)61;1-3-15-35(16-4-1)45-25-13-27-47(53-45)37-19-11-21-39(33-37)55-49-29-9-7-23-41(49)43-31-32-44-42-24-8-10-30-50(42)56(52(44)51(43)55)40-22-12-20-38(34-40)48-28-14-26-46(54-48)36-17-5-2-6-18-36;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)33-24-26-35(27-25-33)50-43-23-13-11-21-37(43)39-29-28-38-36-20-10-12-22-42(36)49(44(38)45(39)50)34-18-8-3-9-19-34/h1-36H;1-34H;1-30H |
| InChIKey | GSGSFSPEYFWBAK-UHFFFAOYSA-N |
| XLogP | 39.17 |
| TPSA | 124.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2158.60 |
| LogP ≤ 5 | 39.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |