C206H160N4 — CID 160911729
9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenyl-2-propan-2-ylphenyl)fluoren-4-amine;N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine (PubChem CID 160911729) has the molecular formula C206H160N4 and a molecular weight of 2691.57 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenyl-2-propan-2-ylphenyl)fluoren-4-amine;N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine.
| Compound Name | 9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenyl-2-propan-2-ylphenyl)fluoren-4-amine;N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine |
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| PubChem CID | 160911729 |
| Molecular Formula | C206H160N4 |
| Molecular Weight | 2691.57 g/mol |
| Exact Mass | 2689.26 |
| IUPAC Name | 9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenyl-2-propan-2-ylphenyl)fluoren-4-amine;N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-4-amine |
| SMILES | CC(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1cccc2c1-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cccc21.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1cccc2c1-c1ccccc1C2(C)C.Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1cccc2c1-c1ccccc1C2(C)C |
| InChI | InChI=1S/C54H41N.C53H39N.C50H41N.C49H39N/c1-36-33-41(37-17-6-4-7-18-37)35-48(38-19-8-5-9-20-38)53(36)55(51-28-16-27-50-52(51)46-25-14-15-26-49(46)54(50,2)3)42-31-29-39(30-32-42)47-34-40-21-10-11-22-43(40)44-23-12-13-24-45(44)47;1-53(2)48-25-14-13-24-45(48)52-49(53)26-15-27-51(52)54(50-33-30-39(36-16-5-3-6-17-36)34-47(50)37-18-7-4-8-19-37)41-31-28-38(29-32-41)46-35-40-20-9-10-21-42(40)43-22-11-12-23-44(43)46;1-33(2)43-31-36(34-15-6-5-7-16-34)27-30-47(43)51(48-24-14-23-46-49(48)42-21-12-13-22-45(42)50(46,3)4)38-28-25-35(26-29-38)44-32-37-17-8-9-18-39(37)40-19-10-11-20-41(40)44;1-32-29-37(34-15-6-5-7-16-34)30-33(2)48(32)50(46-24-14-23-45-47(46)42-21-12-13-22-44(42)49(45,3)4)38-27-25-35(26-28-38)43-31-36-17-8-9-18-39(36)40-19-10-11-20-41(40)43/h4-35H,1-3H3;3-35H,1-2H3;5-33H,1-4H3;5-31H,1-4H3 |
| InChIKey | SQWKEOBSFNJEQX-UHFFFAOYSA-N |
| XLogP | 57.80 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 210 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2691.57 |
| LogP ≤ 5 | 57.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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