C202H244N20 — CID 162004930
2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-diethylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(3-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)butane-2,3-diimine;2-N,3-N-diphenylbutane-2,3-diimine;N,N'-diphenylethane-1,2-diimine (PubChem CID 162004930) has the molecular formula C202H244N20 and a molecular weight of 2952.31 g/mol. Its IUPAC name is 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-diethylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(3-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)butane-2,3-diimine;2-N,3-N-diphenylbutane-2,3-diimine;N,N'-diphenylethane-1,2-diimine.
| Compound Name | 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-diethylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(3-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)butane-2,3-diimine;2-N,3-N-diphenylbutane-2,3-diimine;N,N'-diphenylethane-1,2-diimine |
|---|---|
| PubChem CID | 162004930 |
| Molecular Formula | C202H244N20 |
| Molecular Weight | 2952.31 g/mol |
| Exact Mass | 2949.97 |
| IUPAC Name | 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-diethylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(3-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)butane-2,3-diimine;2-N,3-N-diphenylbutane-2,3-diimine;N,N'-diphenylethane-1,2-diimine |
| SMILES | C(/C=N/c1ccccc1)=N\c1ccccc1.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(=N\c1c(C)cc(C)cc1C)/C(C)=N/c1c(C)cc(C)cc1C.CC(=N\c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C.CC(=N\c1ccc(C)cc1)/C(C)=N/c1ccc(C)cc1.CC(=N\c1cccc(C)c1)/C(C)=N/c1cccc(C)c1.CC(=N\c1ccccc1)/C(C)=N/c1ccccc1.CC(=N\c1ccccc1C(C)(C)C)/C(C)=N/c1ccccc1C(C)(C)C.CC(=N\c1ccccc1C)/C(C)=N/c1ccccc1C.CCc1cccc(CC)c1/N=C(C)/C(C)=N/c1c(CC)cccc1CC |
| InChI | InChI=1S/C28H40N2.2C24H32N2.C22H28N2.C20H24N2.3C18H20N2.C16H16N2.C14H12N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;1-17(25-21-15-11-9-13-19(21)23(3,4)5)18(2)26-22-16-12-10-14-20(22)24(6,7)8;1-7-19-13-11-14-20(8-2)23(19)25-17(5)18(6)26-24-21(9-3)15-12-16-22(24)10-4;1-13-9-15(3)21(16(4)10-13)23-19(7)20(8)24-22-17(5)11-14(2)12-18(22)6;1-13-9-7-10-14(2)19(13)21-17(5)18(6)22-20-15(3)11-8-12-16(20)4;1-13-5-9-17(10-6-13)19-15(3)16(4)20-18-11-7-14(2)8-12-18;1-13-7-5-9-17(11-13)19-15(3)16(4)20-18-10-6-8-14(2)12-18;1-13-9-5-7-11-17(13)19-15(3)16(4)20-18-12-8-6-10-14(18)2;1-13(17-15-9-5-3-6-10-15)14(2)18-16-11-7-4-8-12-16;1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h11-20H,1-10H3;9-16H,1-8H3;11-16H,7-10H2,1-6H3;9-12H,1-8H3;7-12H,1-6H3;3*5-12H,1-4H3;3-12H,1-2H3;1-12H/b29-21+,30-22+;2*25-17+,26-18+;23-19+,24-20+;21-17+,22-18+;3*19-15+,20-16+;17-13+,18-14+;15-11+,16-12+ |
| InChIKey | YSRYSODHZLPBML-GSISMOLGSA-N |
| XLogP | 59.21 |
| TPSA | 247.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2952.31 |
| LogP ≤ 5 | 59.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|