C158H141N18O2P — CID 159076443
1-methyl-3,5-diphenylbenzene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(2-methyl-1-phenylbenzimidazole);2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;[methyl(phenyl)phosphoryl]benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrido[4,3-b]indole;2-methyl-1,4,5-triphenyl-4,5-dihydroimidazole (PubChem CID 159076443) has the molecular formula C158H141N18O2P and a molecular weight of 2354.96 g/mol. Its IUPAC name is 1-methyl-3,5-diphenylbenzene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(2-methyl-1-phenylbenzimidazole);2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;[methyl(phenyl)phosphoryl]benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrido[4,3-b]indole;2-methyl-1,4,5-triphenyl-4,5-dihydroimidazole.
| Compound Name | 1-methyl-3,5-diphenylbenzene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(2-methyl-1-phenylbenzimidazole);2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;[methyl(phenyl)phosphoryl]benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrido[4,3-b]indole;2-methyl-1,4,5-triphenyl-4,5-dihydroimidazole |
|---|---|
| PubChem CID | 159076443 |
| Molecular Formula | C158H141N18O2P |
| Molecular Weight | 2354.96 g/mol |
| Exact Mass | 2353.12 |
| IUPAC Name | 1-methyl-3,5-diphenylbenzene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(2-methyl-1-phenylbenzimidazole);2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;[methyl(phenyl)phosphoryl]benzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrido[4,3-b]indole;2-methyl-1,4,5-triphenyl-4,5-dihydroimidazole |
| SMILES | CC1=NC(c2ccccc2)C(c2ccccc2)N1c1ccccc1.CP(=O)(c1ccccc1)c1ccccc1.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.Cn1c2ccccc2c2cnccc21 |
| InChI | InChI=1S/C22H16N2.C22H20N2.C19H16.C15H13N3.2C14H12N2.C13H13OP.C12H10N2.C9H8N2O.3C6H7N/c1-15-23-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(21)24(15)16-9-3-2-4-10-16;1-17-23-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24(17)20-15-9-4-10-16-20;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;2*1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-14H,1H3;2-16,21-22H,1H3;2-14H,1H3;2-11H,1H3;2*2-10H,1H3;2-11H,1H3;2-8H,1H3;2-6H,1H3;3*2-5H,1H3 |
| InChIKey | KAHRVCDILDBJKS-UHFFFAOYSA-N |
| XLogP | 37.86 |
| TPSA | 212.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2354.96 |
| LogP ≤ 5 | 37.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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