C153H99N15 — CID 159163877
7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 159163877) has the molecular formula C153H99N15 and a molecular weight of 2147.58 g/mol. Its IUPAC name is 7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole.
| Compound Name | 7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole |
|---|---|
| PubChem CID | 159163877 |
| Molecular Formula | C153H99N15 |
| Molecular Weight | 2147.58 g/mol |
| Exact Mass | 2145.82 |
| IUPAC Name | 7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ncccc8n(-c8ccccc8)c7c6)ccc54)c3)c2)cc1.c1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)c4)ccc3c3ncccc32)cc1.c1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)ccc3c3ncccc32)cc1 |
| InChI | InChI=1S/C52H34N4.C51H33N5.C50H32N6/c1-4-14-35(15-5-1)40-32-46(36-16-6-2-7-17-36)54-47(33-40)39-18-12-21-42(30-39)56-48-23-11-10-22-43(48)45-31-37(26-28-49(45)56)38-25-27-44-51(34-38)55(41-19-8-3-9-20-41)50-24-13-29-53-52(44)50;1-2-13-40(14-3-1)55-49-20-11-27-54-51(49)43-23-21-36(33-50(43)55)35-22-24-48-44(32-35)42-16-4-5-19-47(42)56(48)41-15-10-12-34(31-41)37-28-38(45-17-6-8-25-52-45)30-39(29-37)46-18-7-9-26-53-46;1-2-13-37(14-3-1)55-48-20-11-27-53-50(48)40-23-21-35(32-49(40)55)34-22-24-47-41(29-34)39-16-4-5-19-46(39)56(47)38-15-10-12-33(28-38)36-30-44(42-17-6-8-25-51-42)54-45(31-36)43-18-7-9-26-52-43/h1-34H;1-33H;1-32H |
| InChIKey | KKVFQOKQBYSRIQ-UHFFFAOYSA-N |
| XLogP | 38.20 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2147.58 |
| LogP ≤ 5 | 38.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |