C190H124N16 — CID 161100572
12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole (PubChem CID 161100572) has the molecular formula C190H124N16 and a molecular weight of 2631.19 g/mol. Its IUPAC name is 12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole.
| Compound Name | 12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 161100572 |
| Molecular Formula | C190H124N16 |
| Molecular Weight | 2631.19 g/mol |
| Exact Mass | 2629.02 |
| IUPAC Name | 12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)n3)cc2)cc1 |
| InChI | InChI=1S/C51H33N5.C47H31N3.2C46H30N4/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(33-38)56-46-26-13-11-24-42(46)44-32-31-43-41-23-10-12-25-45(41)55(47(43)48(44)56)39-20-8-3-9-21-39;1-4-15-32(16-5-1)35-30-42(33-17-6-2-7-18-33)48-43(31-35)34-19-14-22-37(29-34)50-45-26-13-11-24-39(45)41-28-27-40-38-23-10-12-25-44(38)49(46(40)47(41)50)36-20-8-3-9-21-36;1-4-15-31(16-5-1)40-30-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-30-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34/h1-33H;1-31H;2*1-30H |
| InChIKey | UIJATKHQWCMRAN-UHFFFAOYSA-N |
| XLogP | 48.35 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2631.19 |
| LogP ≤ 5 | 48.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |