C208H136N16 — CID 162151887
11-(3-phenylphenyl)-12-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 162151887) has the molecular formula C208H136N16 and a molecular weight of 2859.49 g/mol. Its IUPAC name is 11-(3-phenylphenyl)-12-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
| Compound Name | 11-(3-phenylphenyl)-12-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 162151887 |
| Molecular Formula | C208H136N16 |
| Molecular Weight | 2859.49 g/mol |
| Exact Mass | 2857.11 |
| IUPAC Name | 11-(3-phenylphenyl)-12-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)n3)cc2)cc1 |
| InChI | InChI=1S/C53H35N3.2C52H34N4.C51H33N5/c1-4-15-36(16-5-1)38-27-29-39(30-28-38)42-34-48(40-19-8-3-9-20-40)54-51(35-42)56-50-26-13-11-24-45(50)47-32-31-46-44-23-10-12-25-49(44)55(52(46)53(47)56)43-22-14-21-41(33-43)37-17-6-2-7-18-37;1-4-15-35(16-5-1)37-27-29-38(30-28-37)46-34-49(54-52(53-46)39-19-8-3-9-20-39)56-48-26-13-11-24-43(48)45-32-31-44-42-23-10-12-25-47(42)55(50(44)51(45)56)41-22-14-21-40(33-41)36-17-6-2-7-18-36;1-4-15-35(16-5-1)37-27-29-39(30-28-37)47-34-46(38-19-8-3-9-20-38)53-52(54-47)56-49-26-13-11-24-43(49)45-32-31-44-42-23-10-12-25-48(42)55(50(44)51(45)56)41-22-14-21-40(33-41)36-17-6-2-7-18-36;1-4-15-34(16-5-1)36-27-29-38(30-28-36)50-52-49(37-19-8-3-9-20-37)53-51(54-50)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)40-22-14-21-39(33-40)35-17-6-2-7-18-35/h1-35H;2*1-34H;1-33H |
| InChIKey | ZLIBEZZYJYFOHU-UHFFFAOYSA-N |
| XLogP | 53.36 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2859.49 |
| LogP ≤ 5 | 53.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |