C184H120N16 — CID 157413882
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole (PubChem CID 157413882) has the molecular formula C184H120N16 and a molecular weight of 2555.10 g/mol. Its IUPAC name is 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole.
| Compound Name | 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 157413882 |
| Molecular Formula | C184H120N16 |
| Molecular Weight | 2555.10 g/mol |
| Exact Mass | 2552.99 |
| IUPAC Name | 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)n3)cc2)cc1 |
| InChI | InChI=1S/4C46H30N4/c1-4-15-31(16-5-1)40-29-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-14-31(15-5-1)40-29-41(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)39-28-38-36-20-10-12-22-42(36)49(44(38)30-45(39)50)34-18-8-3-9-19-34;1-3-12-31(13-4-1)32-22-24-33(25-23-32)34-14-11-15-35(28-34)41-26-27-47-46(48-41)50-43-21-10-8-19-38(43)40-29-39-37-18-7-9-20-42(37)49(44(39)30-45(40)50)36-16-5-2-6-17-36;1-3-12-31(13-4-1)32-22-24-33(25-23-32)41-26-27-47-46(48-41)34-14-11-17-36(28-34)50-43-21-10-8-19-38(43)40-29-39-37-18-7-9-20-42(37)49(44(39)30-45(40)50)35-15-5-2-6-16-35/h4*1-30H |
| InChIKey | BOPLSQHKTWSFTE-UHFFFAOYSA-N |
| XLogP | 46.69 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2555.10 |
| LogP ≤ 5 | 46.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |