C228H182N22O4 — CID 159332291
N-(2,6-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;N-(3,5-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;1-(2-ethyl-1H-indol-7-yl)-N-phenylmethanimine;ethyl 7-(phenyliminomethyl)-1H-indole-2-carboxylate;1-(1H-indol-7-yl)-N-(4-phenylphenyl)methanimine;1-(1H-indol-7-yl)-N-(2,4,6-triphenylphenyl)methanimine;tris(1-(2-methyl-1H-indol-7-yl)-N-phenylmethanimine);7-(phenyliminomethyl)-1H-indole-2-carboxylic acid;N-phenyl-1-(2-phenyl-1H-indol-7-yl)methanimine (PubChem CID 159332291) has the molecular formula C228H182N22O4 and a molecular weight of 3294.11 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;N-(3,5-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;1-(2-ethyl-1H-indol-7-yl)-N-phenylmethanimine;ethyl 7-(phenyliminomethyl)-1H-indole-2-carboxylate;1-(1H-indol-7-yl)-N-(4-phenylphenyl)methanimine;1-(1H-indol-7-yl)-N-(2,4,6-triphenylphenyl)methanimine;tris(1-(2-methyl-1H-indol-7-yl)-N-phenylmethanimine);7-(phenyliminomethyl)-1H-indole-2-carboxylic acid;N-phenyl-1-(2-phenyl-1H-indol-7-yl)methanimine.
| Compound Name | N-(2,6-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;N-(3,5-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;1-(2-ethyl-1H-indol-7-yl)-N-phenylmethanimine;ethyl 7-(phenyliminomethyl)-1H-indole-2-carboxylate;1-(1H-indol-7-yl)-N-(4-phenylphenyl)methanimine;1-(1H-indol-7-yl)-N-(2,4,6-triphenylphenyl)methanimine;tris(1-(2-methyl-1H-indol-7-yl)-N-phenylmethanimine);7-(phenyliminomethyl)-1H-indole-2-carboxylic acid;N-phenyl-1-(2-phenyl-1H-indol-7-yl)methanimine |
|---|---|
| PubChem CID | 159332291 |
| Molecular Formula | C228H182N22O4 |
| Molecular Weight | 3294.11 g/mol |
| Exact Mass | 3291.47 |
| IUPAC Name | N-(2,6-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;N-(3,5-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;1-(2-ethyl-1H-indol-7-yl)-N-phenylmethanimine;ethyl 7-(phenyliminomethyl)-1H-indole-2-carboxylate;1-(1H-indol-7-yl)-N-(4-phenylphenyl)methanimine;1-(1H-indol-7-yl)-N-(2,4,6-triphenylphenyl)methanimine;tris(1-(2-methyl-1H-indol-7-yl)-N-phenylmethanimine);7-(phenyliminomethyl)-1H-indole-2-carboxylic acid;N-phenyl-1-(2-phenyl-1H-indol-7-yl)methanimine |
| SMILES | C(=N/c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)\c1cccc2cc[nH]c12.C(=N/c1c(-c2ccccc2)cccc1-c1ccccc1)\c1cccc2cc[nH]c12.C(=N/c1cc(-c2ccccc2)cc(-c2ccccc2)c1)\c1cccc2cc[nH]c12.C(=N/c1ccc(-c2ccccc2)cc1)\c1cccc2cc[nH]c12.C(=N/c1ccccc1)\c1cccc2cc(-c3ccccc3)[nH]c12.CCOC(=O)c1cc2cccc(/C=N/c3ccccc3)c2[nH]1.CCc1cc2cccc(/C=N/c3ccccc3)c2[nH]1.Cc1cc2cccc(/C=N/c3ccccc3)c2[nH]1.Cc1cc2cccc(/C=N/c3ccccc3)c2[nH]1.Cc1cc2cccc(/C=N/c3ccccc3)c2[nH]1.O=C(O)c1cc2cccc(/C=N/c3ccccc3)c2[nH]1 |
| InChI | InChI=1S/C33H24N2.2C27H20N2.2C21H16N2.C18H16N2O2.C17H16N2.C16H12N2O2.3C16H14N2/c1-4-11-24(12-5-1)29-21-30(25-13-6-2-7-14-25)33(31(22-29)26-15-8-3-9-16-26)35-23-28-18-10-17-27-19-20-34-32(27)28;1-3-9-20(10-4-1)24-15-8-16-25(21-11-5-2-6-12-21)27(24)29-19-23-14-7-13-22-17-18-28-26(22)23;1-3-8-20(9-4-1)24-16-25(21-10-5-2-6-11-21)18-26(17-24)29-19-23-13-7-12-22-14-15-28-27(22)23;1-3-8-16(9-4-1)20-14-17-10-7-11-18(21(17)23-20)15-22-19-12-5-2-6-13-19;1-2-5-16(6-3-1)17-9-11-20(12-10-17)23-15-19-8-4-7-18-13-14-22-21(18)19;1-2-22-18(21)16-11-13-7-6-8-14(17(13)20-16)12-19-15-9-4-3-5-10-15;1-2-15-11-13-7-6-8-14(17(13)19-15)12-18-16-9-4-3-5-10-16;19-16(20)14-9-11-5-4-6-12(15(11)18-14)10-17-13-7-2-1-3-8-13;3*1-12-10-13-6-5-7-14(16(13)18-12)11-17-15-8-3-2-4-9-15/h1-23,34H;2*1-19,28H;1-15,23H;1-15,22H;3-12,20H,2H2,1H3;3-12,19H,2H2,1H3;1-10,18H,(H,19,20);3*2-11,18H,1H3/b35-23+;2*29-19+;22-15+;23-15+;19-12+;18-12+;17-10+;3*17-11+ |
| InChIKey | LFCKPQUIJKJDPB-RPXHHROLSA-N |
| XLogP | 59.47 |
| TPSA | 373.25 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 254 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3294.11 |
| LogP ≤ 5 | 59.47 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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