C208H134N16 — CID 160664721
7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5-naphthalen-1-ylindolo[2,3-b]carbazole;7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-naphthalen-2-ylindolo[2,3-b]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole (PubChem CID 160664721) has the molecular formula C208H134N16 and a molecular weight of 2857.47 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5-naphthalen-1-ylindolo[2,3-b]carbazole;7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-naphthalen-2-ylindolo[2,3-b]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole.
| Compound Name | 7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5-naphthalen-1-ylindolo[2,3-b]carbazole;7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-naphthalen-2-ylindolo[2,3-b]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 160664721 |
| Molecular Formula | C208H134N16 |
| Molecular Weight | 2857.47 g/mol |
| Exact Mass | 2855.10 |
| IUPAC Name | 7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5-naphthalen-1-ylindolo[2,3-b]carbazole;7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-naphthalen-2-ylindolo[2,3-b]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc8ccccc8c7)c6cc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc8ccccc78)c6cc54)c3)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5cc43)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8cccc9ccccc89)c7cc65)c4)n3)c2)cc1 |
| InChI | InChI=1S/C55H35N5.C52H34N4.C51H33N3.C50H32N4/c1-3-16-36(17-4-1)39-22-13-23-40(32-39)54-56-53(38-19-5-2-6-20-38)57-55(58-54)41-24-14-25-42(33-41)59-49-29-11-9-27-44(49)46-34-47-45-28-10-12-30-50(45)60(52(47)35-51(46)59)48-31-15-21-37-18-7-8-26-43(37)48;1-4-15-35(16-5-1)36-27-29-40(30-28-36)55-48-25-12-10-23-42(48)44-32-45-43-24-11-13-26-49(43)56(51(45)34-50(44)55)41-22-14-21-39(31-41)47-33-46(37-17-6-2-7-18-37)53-52(54-47)38-19-8-3-9-20-38;1-3-15-34(16-4-1)38-30-45(36-18-5-2-6-19-36)52-46(31-38)37-21-13-22-39(29-37)53-48-26-11-9-24-41(48)43-32-44-42-25-10-12-27-49(42)54(51(44)33-50(43)53)47-28-14-20-35-17-7-8-23-40(35)47;1-3-15-34(16-4-1)44-31-45(35-17-5-2-6-18-35)52-50(51-44)37-20-13-21-38(29-37)53-46-24-11-9-22-40(46)42-30-43-41-23-10-12-25-47(41)54(49(43)32-48(42)53)39-27-26-33-14-7-8-19-36(33)28-39/h1-35H;1-34H;1-33H;1-32H |
| InChIKey | RMDFINZJDVUAJO-UHFFFAOYSA-N |
| XLogP | 53.48 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2857.47 |
| LogP ≤ 5 | 53.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |