C143H126N10O — CID 157483500
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;2-phenyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;2-phenyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline;2,4,6-trimethyl-N-[2-phenyl-1-(6-phenyl-2-pyridinyl)ethyl]aniline (PubChem CID 157483500) has the molecular formula C143H126N10O and a molecular weight of 2000.65 g/mol. Its IUPAC name is 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;2-phenyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;2-phenyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline;2,4,6-trimethyl-N-[2-phenyl-1-(6-phenyl-2-pyridinyl)ethyl]aniline.
| Compound Name | 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;2-phenyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;2-phenyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline;2,4,6-trimethyl-N-[2-phenyl-1-(6-phenyl-2-pyridinyl)ethyl]aniline |
|---|---|
| PubChem CID | 157483500 |
| Molecular Formula | C143H126N10O |
| Molecular Weight | 2000.65 g/mol |
| Exact Mass | 1999.01 |
| IUPAC Name | 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;2-phenyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;2-phenyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline;2,4,6-trimethyl-N-[2-phenyl-1-(6-phenyl-2-pyridinyl)ethyl]aniline |
| SMILES | COc1ccc(NC(c2ccccc2)c2cccc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(NC(Cc2ccccc2)c2cccc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(NC(c2cccc(-c3ccccc3)n2)c2c3ccccc3cc3ccccc23)c(C)c1.c1ccc(-c2cccc(C(Nc3ccccc3-c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2cccc(CNc3ccccc3-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C35H30N2.C30H24N2.C28H28N2.C26H24N2O.C24H20N2/c1-23-20-24(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;1-4-13-23(14-5-1)26-19-10-11-20-28(26)32-30(25-17-8-3-9-18-25)29-22-12-21-27(31-29)24-15-6-2-7-16-24;1-20-17-21(2)28(22(3)18-20)30-27(19-23-11-6-4-7-12-23)26-16-10-15-25(29-26)24-13-8-5-9-14-24;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;1-3-10-19(11-4-1)22-15-7-8-16-24(22)25-18-21-14-9-17-23(26-21)20-12-5-2-6-13-20/h4-22,35,37H,1-3H3;1-22,30,32H;4-18,27,30H,19H2,1-3H3;3-18,26,28H,1-2H3;1-17,25H,18H2 |
| InChIKey | BWKWHDPEJJUFFC-UHFFFAOYSA-N |
| XLogP | 36.16 |
| TPSA | 133.83 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 154 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2000.65 |
| LogP ≤ 5 | 36.16 |
| 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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