C296H218N30O2 — CID 158392227
[3-[1-(3-benzoylphenyl)-2,8-dimethyl-3,9-diphenylquinolino[8,7-h]quinolin-7-yl]phenyl]-phenylmethanone;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrazin-2-ylphenyl)quinolino[8,7-h]quinoline;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-5-ylphenyl)quinolino[8,7-h]quinoline (PubChem CID 158392227) has the molecular formula C296H218N30O2 and a molecular weight of 4227.21 g/mol. Its IUPAC name is [3-[1-(3-benzoylphenyl)-2,8-dimethyl-3,9-diphenylquinolino[8,7-h]quinolin-7-yl]phenyl]-phenylmethanone;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrazin-2-ylphenyl)quinolino[8,7-h]quinoline;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-5-ylphenyl)quinolino[8,7-h]quinoline.
| Compound Name | [3-[1-(3-benzoylphenyl)-2,8-dimethyl-3,9-diphenylquinolino[8,7-h]quinolin-7-yl]phenyl]-phenylmethanone;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrazin-2-ylphenyl)quinolino[8,7-h]quinoline;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-5-ylphenyl)quinolino[8,7-h]quinoline |
|---|---|
| PubChem CID | 158392227 |
| Molecular Formula | C296H218N30O2 |
| Molecular Weight | 4227.21 g/mol |
| Exact Mass | 4223.79 |
| IUPAC Name | [3-[1-(3-benzoylphenyl)-2,8-dimethyl-3,9-diphenylquinolino[8,7-h]quinolin-7-yl]phenyl]-phenylmethanone;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrazin-2-ylphenyl)quinolino[8,7-h]quinoline;1,7-bis(2-methylpropyl)-3,9-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2,8-dimethyl-3,9-diphenyl-1,7-bis(3-pyrimidin-5-ylphenyl)quinolino[8,7-h]quinoline |
| SMILES | CC(C)Cc1cc(-c2cccc(-c3cnccn3)c2)nc2c1ccc1c2ccc2c(CC(C)C)cc(-c3cccc(-c4cnccn4)c3)nc21.CC(C)Cc1cc(-c2cccc(-c3ncccn3)c2)nc2c1ccc1c2ccc2c(CC(C)C)cc(-c3cccc(-c4ncccn4)c3)nc21.Cc1c(-c2ccccc2)nc2c(ccc3c2ccc2c(-c4cccc(-c5cccnc5)c4)c(C)c(-c4ccccc4)nc23)c1-c1cccc(-c2cccnc2)c1.Cc1c(-c2ccccc2)nc2c(ccc3c2ccc2c(-c4cccc(-c5cncnc5)c4)c(C)c(-c4ccccc4)nc23)c1-c1cccc(-c2cncnc2)c1.Cc1c(-c2ccccc2)nc2c(ccc3c2ccc2c(-c4cccc(-c5ncccn5)c4)c(C)c(-c4ccccc4)nc23)c1-c1cccc(-c2ncccn2)c1.Cc1c(-c2ccccc2)nc2c(ccc3c2ccc2c(-c4cccc(C(=O)c5ccccc5)c4)c(C)c(-c4ccccc4)nc23)c1-c1cccc(C(=O)c2ccccc2)c1 |
| InChI | InChI=1S/C56H38N2O2.C52H36N4.2C50H34N6.2C44H38N6/c1-35-49(41-25-15-27-43(33-41)55(59)39-21-11-5-12-22-39)47-31-29-46-45(53(47)57-51(35)37-17-7-3-8-18-37)30-32-48-50(36(2)52(58-54(46)48)38-19-9-4-10-20-38)42-26-16-28-44(34-42)56(60)40-23-13-6-14-24-40;1-33-47(39-19-9-17-37(29-39)41-21-11-27-53-31-41)45-25-23-44-43(51(45)55-49(33)35-13-5-3-6-14-35)24-26-46-48(34(2)50(56-52(44)46)36-15-7-4-8-16-36)40-20-10-18-38(30-40)42-22-12-28-54-32-42;1-31-43(35-17-9-19-37(29-35)49-51-25-11-26-52-49)41-23-21-40-39(47(41)55-45(31)33-13-5-3-6-14-33)22-24-42-44(32(2)46(56-48(40)42)34-15-7-4-8-16-34)36-18-10-20-38(30-36)50-53-27-12-28-54-50;1-31-45(37-17-9-15-35(23-37)39-25-51-29-52-26-39)43-21-19-42-41(49(43)55-47(31)33-11-5-3-6-12-33)20-22-44-46(32(2)48(56-50(42)44)34-13-7-4-8-14-34)38-18-10-16-36(24-38)40-27-53-30-54-28-40;1-27(2)21-33-25-39(29-9-5-11-31(23-29)43-45-17-7-18-46-43)49-41-35(33)13-15-38-37(41)16-14-36-34(22-28(3)4)26-40(50-42(36)38)30-10-6-12-32(24-30)44-47-19-8-20-48-44;1-27(2)19-33-23-39(29-7-5-9-31(21-29)41-25-45-15-17-47-41)49-43-35(33)11-13-38-37(43)14-12-36-34(20-28(3)4)24-40(50-44(36)38)30-8-6-10-32(22-30)42-26-46-16-18-48-42/h3-34H,1-2H3;3-32H,1-2H3;2*3-30H,1-2H3;5-20,23-28H,21-22H2,1-4H3;5-18,21-28H,19-20H2,1-4H3 |
| InChIKey | GXCILJBTEWXYDL-UHFFFAOYSA-N |
| XLogP | 72.46 |
| TPSA | 420.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 328 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4227.21 |
| LogP ≤ 5 | 72.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |