C172H142F6N10O — CID 161197616
N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2-methylnaphthalen-1-amine;N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline;4-methoxy-2-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline (PubChem CID 161197616) has the molecular formula C172H142F6N10O and a molecular weight of 2479.08 g/mol. Its IUPAC name is N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2-methylnaphthalen-1-amine;N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline;4-methoxy-2-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline.
| Compound Name | N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2-methylnaphthalen-1-amine;N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline;4-methoxy-2-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline |
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| PubChem CID | 161197616 |
| Molecular Formula | C172H142F6N10O |
| Molecular Weight | 2479.08 g/mol |
| Exact Mass | 2477.13 |
| IUPAC Name | N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2-methylnaphthalen-1-amine;N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline;4-methoxy-2-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline |
| SMILES | CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.COc1ccc(NC(c2ccccc2)c2cccc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(NC(c2cccc(-c3ccccc3)n2)c2c3ccccc3cc3ccccc23)c(C)c1.Cc1ccc2ccccc2c1NC(c1cccc(-c2cccc3ccccc23)n1)c1c2ccccc2cc2ccccc12.FC(F)(F)c1cc(NC(c2cccc(-c3cccc4ccccc34)n2)c2ccccc2-c2ccccc2)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C41H30N2.C36H24F6N2.C35H30N2.C34H34N2.C26H24N2O/c1-27-24-25-29-13-3-9-20-35(29)40(27)43-41(39-33-18-7-4-14-30(33)26-31-15-5-8-19-34(31)39)38-23-11-22-37(42-38)36-21-10-16-28-12-2-6-17-32(28)36;37-35(38,39)25-20-26(36(40,41)42)22-27(21-25)43-34(31-16-7-6-15-29(31)23-10-2-1-3-11-23)33-19-9-18-32(44-33)30-17-8-13-24-12-4-5-14-28(24)30;1-23-20-24(2)34(25(3)21-23)37-35(32-19-11-18-31(36-32)26-12-5-4-6-13-26)33-29-16-9-7-14-27(29)22-28-15-8-10-17-30(28)33;1-23(2)27-18-11-19-28(24(3)4)34(27)36-33(26-14-6-5-7-15-26)32-22-12-21-31(35-32)30-20-10-16-25-13-8-9-17-29(25)30;1-19-18-22(29-2)16-17-23(19)28-26(21-12-7-4-8-13-21)25-15-9-14-24(27-25)20-10-5-3-6-11-20/h2-26,41,43H,1H3;1-22,34,43H;4-22,35,37H,1-3H3;5-24,33,36H,1-4H3;3-18,26,28H,1-2H3 |
| InChIKey | UUOBRNJHJAJHPM-UHFFFAOYSA-N |
| XLogP | 46.48 |
| TPSA | 133.83 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2479.08 |
| LogP ≤ 5 | 46.48 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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