C416H306F12N2O4 — CID 158255156
9,10-bis(4-methylphenyl)-3,6-diphenylphenanthrene;2,7-bis(trifluoromethyl)-9,10-bis[3-(trifluoromethyl)phenyl]phenanthrene;3,6-ditert-butyl-9,10-diphenylphenanthrene;3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-methylphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-ylphenanthrene;3,6-diphenyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-diphenylphenanthrene;3-methyl-9-(4-methylphenyl)-6-phenyl-10-(4-phenylphenyl)phenanthrene;2-(6-pyridin-2-ylphenanthren-3-yl)pyridine;3,6,9,10-tetraphenylphenanthrene (PubChem CID 158255156) has the molecular formula C416H306F12N2O4 and a molecular weight of 5625.01 g/mol. Its IUPAC name is 9,10-bis(4-methylphenyl)-3,6-diphenylphenanthrene;2,7-bis(trifluoromethyl)-9,10-bis[3-(trifluoromethyl)phenyl]phenanthrene;3,6-ditert-butyl-9,10-diphenylphenanthrene;3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-methylphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-ylphenanthrene;3,6-diphenyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-diphenylphenanthrene;3-methyl-9-(4-methylphenyl)-6-phenyl-10-(4-phenylphenyl)phenanthrene;2-(6-pyridin-2-ylphenanthren-3-yl)pyridine;3,6,9,10-tetraphenylphenanthrene.
| Compound Name | 9,10-bis(4-methylphenyl)-3,6-diphenylphenanthrene;2,7-bis(trifluoromethyl)-9,10-bis[3-(trifluoromethyl)phenyl]phenanthrene;3,6-ditert-butyl-9,10-diphenylphenanthrene;3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-methylphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-ylphenanthrene;3,6-diphenyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-diphenylphenanthrene;3-methyl-9-(4-methylphenyl)-6-phenyl-10-(4-phenylphenyl)phenanthrene;2-(6-pyridin-2-ylphenanthren-3-yl)pyridine;3,6,9,10-tetraphenylphenanthrene |
|---|---|
| PubChem CID | 158255156 |
| Molecular Formula | C416H306F12N2O4 |
| Molecular Weight | 5625.01 g/mol |
| Exact Mass | 5620.36 |
| IUPAC Name | 9,10-bis(4-methylphenyl)-3,6-diphenylphenanthrene;2,7-bis(trifluoromethyl)-9,10-bis[3-(trifluoromethyl)phenyl]phenanthrene;3,6-ditert-butyl-9,10-diphenylphenanthrene;3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-methylphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-dinaphthalen-2-ylphenanthrene;3,6-diphenyl-9,10-bis(4-phenylphenyl)phenanthrene;9,10-diphenylphenanthrene;3-methyl-9-(4-methylphenyl)-6-phenyl-10-(4-phenylphenyl)phenanthrene;2-(6-pyridin-2-ylphenanthren-3-yl)pyridine;3,6,9,10-tetraphenylphenanthrene |
| SMILES | CC(C)(C)c1ccc2c(-c3ccccc3)c(-c3ccccc3)c3ccc(C(C)(C)C)cc3c2c1.COc1ccc(-c2c(-c3ccc(OC)cc3)c3ccc(OC)cc3c3cc(OC)ccc23)cc1.Cc1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)c3ccc(C)cc3c3cc(-c4ccccc4)ccc23)cc1.Cc1ccc(-c2c(-c3ccc(C)cc3)c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc23)cc1.Cc1ccc(-c2c(-c3ccc(C)cc3)c3ccc(C)cc3c3cc(C)ccc23)cc1.Cc1ccc2c(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)c3ccc(C)cc3c2c1.FC(F)(F)c1cccc(-c2c(-c3cccc(C(F)(F)F)c3)c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc23)c1.c1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccccn5)cc4c3c2)nc1.c1ccc2cc(-c3c(-c4ccc5ccccc5c4)c4ccccc4c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C50H34.3C40H30.C38H26.C34H22.C34H34.C30H14F12.C30H26O4.C30H26.C26H18.C24H16N2/c1-5-13-35(14-6-1)39-21-25-41(26-22-39)49-45-31-29-43(37-17-9-3-10-18-37)33-47(45)48-34-44(38-19-11-4-12-20-38)30-32-46(48)50(49)42-27-23-40(24-28-42)36-15-7-2-8-16-36;1-27-13-23-35-37(25-27)38-26-28(2)14-24-36(38)40(34-21-17-32(18-22-34)30-11-7-4-8-12-30)39(35)33-19-15-31(16-20-33)29-9-5-3-6-10-29;1-27-13-17-31(18-14-27)39-35-23-21-33(29-9-5-3-6-10-29)25-37(35)38-26-34(30-11-7-4-8-12-30)22-24-36(38)40(39)32-19-15-28(2)16-20-32;1-27-13-16-32(17-14-27)39-36-24-22-34(30-11-7-4-8-12-30)26-38(36)37-25-28(2)15-23-35(37)40(39)33-20-18-31(19-21-33)29-9-5-3-6-10-29;1-5-13-27(14-6-1)31-21-23-33-35(25-31)36-26-32(28-15-7-2-8-16-28)22-24-34(36)38(30-19-11-4-12-20-30)37(33)29-17-9-3-10-18-29;1-3-11-25-21-27(19-17-23(25)9-1)33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)34(33)28-20-18-24-10-2-4-12-26(24)22-28;1-33(2,3)25-17-19-27-29(21-25)30-22-26(34(4,5)6)18-20-28(30)32(24-15-11-8-12-16-24)31(27)23-13-9-7-10-14-23;31-27(32,33)17-5-1-3-15(11-17)25-23-13-19(29(37,38)39)7-9-21(23)22-10-8-20(30(40,41)42)14-24(22)26(25)16-4-2-6-18(12-16)28(34,35)36;1-31-21-9-5-19(6-10-21)29-25-15-13-23(33-3)17-27(25)28-18-24(34-4)14-16-26(28)30(29)20-7-11-22(32-2)12-8-20;1-19-5-11-23(12-6-19)29-25-15-9-21(3)17-27(25)28-18-22(4)10-16-26(28)30(29)24-13-7-20(2)8-14-24;1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20;1-3-13-25-23(5-1)19-11-9-17-7-8-18-10-12-20(16-22(18)21(17)15-19)24-6-2-4-14-26-24/h1-34H;3*3-26H,1-2H3;1-26H;1-22H;7-22H,1-6H3;1-14H;5-18H,1-4H3;5-18H,1-4H3;1-18H;1-16H |
| InChIKey | GHERAJIPOKLWTJ-UHFFFAOYSA-N |
| XLogP | 118.81 |
| TPSA | 62.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 434 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5625.01 |
| LogP ≤ 5 | 118.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |