C186H185ClN14O2 — CID 159233071
4-benzyl-9H-carbazole;4-(4-chlorophenyl)-3-methylpyridine;4,9-dimethylcarbazole;(1S)-1,4-dimethyl-2,3-dihydro-1H-indene;2,5-dimethyl-4-phenylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;3-ethyl-4-phenylpyridine;9-(methoxymethyl)-4-methylcarbazole;4-(4-methoxyphenyl)-3-methylpyridine;4-methylbenzo[h]isoquinoline;4-methyl-9H-carbazole;3-methyl-4-phenylpyridine;2,3,4,5-tetramethylpyridine;3,4,5-trimethylpyridine (PubChem CID 159233071) has the molecular formula C186H185ClN14O2 and a molecular weight of 2684.07 g/mol. Its IUPAC name is 4-benzyl-9H-carbazole;4-(4-chlorophenyl)-3-methylpyridine;4,9-dimethylcarbazole;(1S)-1,4-dimethyl-2,3-dihydro-1H-indene;2,5-dimethyl-4-phenylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;3-ethyl-4-phenylpyridine;9-(methoxymethyl)-4-methylcarbazole;4-(4-methoxyphenyl)-3-methylpyridine;4-methylbenzo[h]isoquinoline;4-methyl-9H-carbazole;3-methyl-4-phenylpyridine;2,3,4,5-tetramethylpyridine;3,4,5-trimethylpyridine.
| Compound Name | 4-benzyl-9H-carbazole;4-(4-chlorophenyl)-3-methylpyridine;4,9-dimethylcarbazole;(1S)-1,4-dimethyl-2,3-dihydro-1H-indene;2,5-dimethyl-4-phenylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;3-ethyl-4-phenylpyridine;9-(methoxymethyl)-4-methylcarbazole;4-(4-methoxyphenyl)-3-methylpyridine;4-methylbenzo[h]isoquinoline;4-methyl-9H-carbazole;3-methyl-4-phenylpyridine;2,3,4,5-tetramethylpyridine;3,4,5-trimethylpyridine |
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| PubChem CID | 159233071 |
| Molecular Formula | C186H185ClN14O2 |
| Molecular Weight | 2684.07 g/mol |
| Exact Mass | 2681.45 |
| IUPAC Name | 4-benzyl-9H-carbazole;4-(4-chlorophenyl)-3-methylpyridine;4,9-dimethylcarbazole;(1S)-1,4-dimethyl-2,3-dihydro-1H-indene;2,5-dimethyl-4-phenylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;3-ethyl-4-phenylpyridine;9-(methoxymethyl)-4-methylcarbazole;4-(4-methoxyphenyl)-3-methylpyridine;4-methylbenzo[h]isoquinoline;4-methyl-9H-carbazole;3-methyl-4-phenylpyridine;2,3,4,5-tetramethylpyridine;3,4,5-trimethylpyridine |
| SMILES | CCc1cnccc1-c1ccccc1.COCn1c2ccccc2c2c(C)cccc21.COc1ccc(-c2ccncc2C)cc1.Cc1cc(-c2ccccc2)c(C)cn1.Cc1cccc2[nH]c3ccccc3c12.Cc1cccc2c1CC[C@@H]2C.Cc1cccc2c1c1ccccc1n2C.Cc1ccncc1C.Cc1cnc(C)c(C)c1C.Cc1cncc(C)c1-c1ccccc1.Cc1cncc(C)c1C.Cc1cncc2c1ccc1ccccc12.Cc1cnccc1-c1ccc(Cl)cc1.Cc1cnccc1-c1ccccc1.c1ccc(Cc2cccc3[nH]c4ccccc4c23)cc1 |
| InChI | InChI=1S/C19H15N.C15H15NO.C14H13N.C14H11N.C13H13NO.C13H11N.3C13H13N.C12H10ClN.C12H11N.C11H14.C9H13N.C8H11N.C7H9N/c1-2-7-14(8-3-1)13-15-9-6-12-18-19(15)16-10-4-5-11-17(16)20-18;1-11-6-5-9-14-15(11)12-7-3-4-8-13(12)16(14)10-17-2;1-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15(13)2;1-10-8-15-9-14-12(10)7-6-11-4-2-3-5-13(11)14;1-10-9-14-8-7-13(10)11-3-5-12(15-2)6-4-11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;1-10-9-14-11(2)8-13(10)12-6-4-3-5-7-12;1-10-8-14-9-11(2)13(10)12-6-4-3-5-7-12;1-2-11-10-14-9-8-13(11)12-6-4-3-5-7-12;1-9-8-14-7-6-12(9)10-2-4-11(13)5-3-10;1-10-9-13-8-7-12(10)11-5-3-2-4-6-11;1-8-4-3-5-10-9(2)6-7-11(8)10;1-6-5-10-9(4)8(3)7(6)2;1-6-4-9-5-7(2)8(6)3;1-6-3-4-8-5-7(6)2/h1-12,20H,13H2;3-9H,10H2,1-2H3;3-9H,1-2H3;2-9H,1H3;3-9H,1-2H3;2-8,14H,1H3;2*3-9H,1-2H3;3-10H,2H2,1H3;2-8H,1H3;2-9H,1H3;3-5,9H,6-7H2,1-2H3;5H,1-4H3;4-5H,1-3H3;3-5H,1-2H3/t;;;;;;;;;;;9-;;;/m...........0.../s1 |
| InChIKey | KTDIGDOFLDPOKA-FGPAYBOZSA-N |
| XLogP | 48.52 |
| TPSA | 188.80 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2684.07 |
| LogP ≤ 5 | 48.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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