C101H65N11 — CID 157443985
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 157443985) has the molecular formula C101H65N11 and a molecular weight of 1432.71 g/mol. Its IUPAC name is 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole.
| Compound Name | 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole |
|---|---|
| PubChem CID | 157443985 |
| Molecular Formula | C101H65N11 |
| Molecular Weight | 1432.71 g/mol |
| Exact Mass | 1431.54 |
| IUPAC Name | 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1 |
| InChI | InChI=1S/C51H33N5.C50H32N6/c1-4-14-34(15-5-1)44-33-45(35-16-6-2-7-17-35)54-50(53-44)36-25-28-39(29-26-36)55-46-23-11-10-20-42(46)49-40(21-12-24-48(49)55)37-27-30-47-43(32-37)41-22-13-31-52-51(41)56(47)38-18-8-3-9-19-38;1-4-14-33(15-5-1)47-52-48(34-16-6-2-7-17-34)54-49(53-47)35-25-28-38(29-26-35)55-43-23-11-10-20-41(43)46-39(21-12-24-45(46)55)36-27-30-44-42(32-36)40-22-13-31-51-50(40)56(44)37-18-8-3-9-19-37/h1-33H;1-32H |
| InChIKey | BRZULVSSESHTPE-UHFFFAOYSA-N |
| XLogP | 24.86 |
| TPSA | 109.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 112 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1432.71 |
| LogP ≤ 5 | 24.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |