C266H218N18 — CID 158420583
6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-2-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-3-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-4-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline (PubChem CID 158420583) has the molecular formula C266H218N18 and a molecular weight of 3666.80 g/mol. Its IUPAC name is 6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-2-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-3-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-4-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline.
| Compound Name | 6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-2-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-3-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-4-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline |
|---|---|
| PubChem CID | 158420583 |
| Molecular Formula | C266H218N18 |
| Molecular Weight | 3666.80 g/mol |
| Exact Mass | 3663.76 |
| IUPAC Name | 6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-2-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-3-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-4-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccc(-c6ccccn6)cc5)nc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1cc(C)c(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccccn5)cc4)nc3cc2-c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccncc5)cc4)nc3cc2-c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)cc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccncc5)cc4)nc3cc2-c2cc(C)cc(C)c2)c1 |
| InChI | InChI=1S/C55H41N3.3C43H37N3.2C41H33N3/c1-54(2)45-18-10-8-16-39(45)41-27-25-37(30-47(41)54)43-32-50-51(33-44(43)38-26-28-42-40-17-9-11-19-46(40)55(3,4)48(42)31-38)58-53(52(57-50)35-14-6-5-7-15-35)36-23-21-34(22-24-36)49-20-12-13-29-56-49;1-26-20-28(3)40(29(4)21-26)35-24-38-39(25-36(35)41-30(5)22-27(2)23-31(41)6)46-43(42(45-38)33-12-8-7-9-13-33)34-17-15-32(16-18-34)37-14-10-11-19-44-37;1-26-19-28(3)40(29(4)20-26)36-23-38-39(24-37(36)41-30(5)21-27(2)22-31(41)6)46-43(42(45-38)33-11-8-7-9-12-33)34-16-14-32(15-17-34)35-13-10-18-44-25-35;1-26-20-28(3)40(29(4)21-26)36-24-38-39(25-37(36)41-30(5)22-27(2)23-31(41)6)46-43(42(45-38)34-10-8-7-9-11-34)35-14-12-32(13-15-35)33-16-18-44-19-17-33;1-26-17-27(2)20-34(19-26)36-23-38-39(24-37(36)35-21-28(3)18-29(4)22-35)44-41(40(43-38)31-9-6-5-7-10-31)32-14-12-30(13-15-32)33-11-8-16-42-25-33;1-26-18-27(2)21-34(20-26)36-24-38-39(25-37(36)35-22-28(3)19-29(4)23-35)44-41(40(43-38)32-8-6-5-7-9-32)33-12-10-30(11-13-33)31-14-16-42-17-15-31/h5-33H,1-4H3;3*7-25H,1-6H3;2*5-25H,1-4H3 |
| InChIKey | HALCMYSCGLAYFI-UHFFFAOYSA-N |
| XLogP | 68.79 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 284 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3666.80 |
| LogP ≤ 5 | 68.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |