C281H295Co7FeN57O56S2 — CID 162277253
5-[benzyl(ethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;1-benzyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;5-[bis(furan-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[bis(thiophen-2-ylmethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;bis(5-[[(Z)-but-2-enyl]-prop-2-enylamino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);bis(1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one);1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;carbanide;cobalt;cyclopentane;5-[5-cyclopentylpentyl(naphthalen-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;bis(5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);5-(diethylamino)-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[ethyl(pentyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;iron(2+) (PubChem CID 162277253) has the molecular formula C281H295Co7FeN57O56S2 and a molecular weight of 5899.30 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;1-benzyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;5-[bis(furan-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[bis(thiophen-2-ylmethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;bis(5-[[(Z)-but-2-enyl]-prop-2-enylamino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);bis(1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one);1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;carbanide;cobalt;cyclopentane;5-[5-cyclopentylpentyl(naphthalen-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;bis(5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);5-(diethylamino)-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[ethyl(pentyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;iron(2+).
| Compound Name | 5-[benzyl(ethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;1-benzyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;5-[bis(furan-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[bis(thiophen-2-ylmethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;bis(5-[[(Z)-but-2-enyl]-prop-2-enylamino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);bis(1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one);1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;carbanide;cobalt;cyclopentane;5-[5-cyclopentylpentyl(naphthalen-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;bis(5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);5-(diethylamino)-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[ethyl(pentyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;iron(2+) |
|---|---|
| PubChem CID | 162277253 |
| Molecular Formula | C281H295Co7FeN57O56S2 |
| Molecular Weight | 5899.30 g/mol |
| Exact Mass | 5895.61 |
| IUPAC Name | 5-[benzyl(ethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;1-benzyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;5-[bis(furan-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[bis(thiophen-2-ylmethyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;bis(5-[[(Z)-but-2-enyl]-prop-2-enylamino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);bis(1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one);1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;carbanide;cobalt;cyclopentane;5-[5-cyclopentylpentyl(naphthalen-2-ylmethyl)amino]-2-[(2-hydroxyphenyl)diazenyl]phenol;bis(5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol);5-(diethylamino)-2-[(2-hydroxyphenyl)diazenyl]phenol;5-[ethyl(pentyl)amino]-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol;iron(2+) |
| SMILES | C1CCCC1.C=CCN(C/C=C\C)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1.C=CCN(C/C=C\C)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1.CCCCCN(CC)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1.CCCCn1c(O)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.CCN(CC)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1.CCN(CC)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1.CCN(CC)c1ccc(/N=N/c2ccccc2O)c(O)c1.CCN(Cc1ccccc1)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1.Cc1c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)n(Cc2ccccc2)c(=O)c1C#N.O=[N+]([O-])c1ccc(O)c(/N=N/c2ccc(N(Cc3cccs3)Cc3cccs3)cc2O)c1.Oc1ccccc1/N=N/c1ccc(N(CCCCCC2CCCC2)Cc2ccc3ccccc3c2)cc1O.Oc1ccccc1/N=N/c1ccc(N(Cc2ccco2)Cc2ccco2)cc1O.[C-]#[N+]c1c(C)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)n(CCCC)c1=O.[C-]#[N+]c1c(C)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)n(CCCC)c1=O.[CH3-].[CH3-].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Fe+2] |
| InChI | InChI=1S/C33H37N3O2.C22H18N4O4S2.C22H19N3O4.C21H20N4O4.C20H15N5O5.2C19H20N4O4.C19H24N4O4.3C17H17N5O5.2C16H18N4O4.C16H19N3O2.C5H10.2CH3.7Co.Fe/c37-32-16-8-7-15-30(32)34-35-31-20-19-29(23-33(31)38)36(21-9-1-2-10-25-11-3-4-12-25)24-26-17-18-27-13-5-6-14-28(27)22-26;27-21-8-6-16(26(29)30)11-20(21)24-23-19-7-5-15(12-22(19)28)25(13-17-3-1-9-31-17)14-18-4-2-10-32-18;26-21-8-2-1-7-19(21)23-24-20-10-9-16(13-22(20)27)25(14-17-5-3-11-28-17)15-18-6-4-12-29-18;1-2-24(14-15-6-4-3-5-7-15)16-8-10-18(21(27)13-16)22-23-19-12-17(25(28)29)9-11-20(19)26;1-12-15(10-21)19(27)24(11-13-5-3-2-4-6-13)20(28)18(12)23-22-16-9-14(25(29)30)7-8-17(16)26;2*1-3-5-11-22(10-4-2)14-6-8-16(19(25)13-14)20-21-17-12-15(23(26)27)7-9-18(17)24;1-3-5-6-11-22(4-2)14-7-9-16(19(25)13-14)20-21-17-12-15(23(26)27)8-10-18(17)24;2*1-4-5-8-21-16(24)14(18-3)10(2)15(17(21)25)20-19-12-9-11(22(26)27)6-7-13(12)23;1-3-4-7-21-16(24)12(9-18)10(2)15(17(21)25)20-19-13-8-11(22(26)27)5-6-14(13)23;2*1-3-19(4-2)11-5-7-13(16(22)10-11)17-18-14-9-12(20(23)24)6-8-15(14)21;1-3-19(4-2)12-9-10-14(16(21)11-12)18-17-13-7-5-6-8-15(13)20;1-2-4-5-3-1;;;;;;;;;;/h5-8,13-20,22-23,25,37-38H,1-4,9-12,21,24H2;1-12,27-28H,13-14H2;1-13,26-27H,14-15H2;3-13,26-27H,2,14H2,1H3;2-9,26,28H,11H2,1H3;2*3-9,12-13,24-25H,2,10-11H2,1H3;7-10,12-13,24-25H,3-6,11H2,1-2H3;2*6-7,9,23,25H,4-5,8H2,1-2H3;5-6,8,23,25H,3-4,7H2,1-2H3;2*5-10,21-22H,3-4H2,1-2H3;5-11,20-21H,3-4H2,1-2H3;1-5H2;2*1H3;;;;;;;;/q;;;;;;;;;;;;;;;2*-1;;;;;;;;+2/b35-34+;2*24-23+;2*23-22+;2*5-3-,21-20+;21-20+;3*20-19+;3*18-17+;;;;;;;;;;; |
| InChIKey | NWXWWUDSQXSUHQ-FHONRCDJSA-N |
| XLogP | 74.53 |
| TPSA | 1590.04 Ų |
| H-Bond Donors | 28 |
| H-Bond Acceptors | 102 |
| Rotatable Bonds | 98 |
| Heavy Atoms | 404 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5899.30 |
| LogP ≤ 5 | 74.53 |
| H-Bond Donors ≤ 5 | 28 |
| H-Bond Acceptors ≤ 10 | 102 |