C95H74Cl8N12O9 — CID 159447607
2-N,7-N-bis(4-chlorophenyl)-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-bis(4-methylphenyl)naphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide;methane (PubChem CID 159447607) has the molecular formula C95H74Cl8N12O9 and a molecular weight of 1811.34 g/mol. Its IUPAC name is 2-N,7-N-bis(4-chlorophenyl)-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-bis(4-methylphenyl)naphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide;methane.
| Compound Name | 2-N,7-N-bis(4-chlorophenyl)-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-bis(4-methylphenyl)naphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide;methane |
|---|---|
| PubChem CID | 159447607 |
| Molecular Formula | C95H74Cl8N12O9 |
| Molecular Weight | 1811.34 g/mol |
| Exact Mass | 1806.32 |
| IUPAC Name | 2-N,7-N-bis(4-chlorophenyl)-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-bis(4-methylphenyl)naphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide;methane |
| SMILES | C.C.C.Cc1ccc(NC(=O)c2ccc3c(/N=N/c4cc(Cl)ccc4Cl)c(O)c(C(=O)Nc4ccc(C)cc4)cc3c2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc2c(/N=N/c3cc(Cl)ccc3Cl)c(O)c(C(=O)Nc3ccc(Cl)cc3)cc2c1.O=C(Nc1ccccc1)c1ccc2c(/N=N/c3cc(Cl)ccc3Cl)c(O)c(C(=O)Nc3ccccc3)cc2c1 |
| InChI | InChI=1S/C32H24Cl2N4O3.C30H18Cl4N4O3.C30H20Cl2N4O3.3CH4/c1-18-3-9-23(10-4-18)35-31(40)20-7-13-25-21(15-20)16-26(32(41)36-24-11-5-19(2)6-12-24)30(39)29(25)38-37-28-17-22(33)8-14-27(28)34;31-18-2-7-21(8-3-18)35-29(40)16-1-11-23-17(13-16)14-24(30(41)36-22-9-4-19(32)5-10-22)28(39)27(23)38-37-26-15-20(33)6-12-25(26)34;31-20-12-14-25(32)26(17-20)35-36-27-23-13-11-18(29(38)33-21-7-3-1-4-8-21)15-19(23)16-24(28(27)37)30(39)34-22-9-5-2-6-10-22;;;/h3-17,39H,1-2H3,(H,35,40)(H,36,41);1-15,39H,(H,35,40)(H,36,41);1-17,37H,(H,33,38)(H,34,39);3*1H4/b2*38-37+;36-35+;;; |
| InChIKey | LSYMVZBAEVMOJH-OSNBXNKASA-N |
| XLogP | 30.15 |
| TPSA | 309.45 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1811.34 |
| LogP ≤ 5 | 30.15 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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