trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron

C60H32CrN22Na3O31S3 — CID 25040440

IUPACtrisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron
SMILESO=[N+]([O-])c1cc(/N=N/c2cc(/N=N/c3ccc(Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])cc3)c(O)c(/N=N/c3ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c3)c2[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(/N=N/c2c([O-])c(/N=N/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])cc(/N=N/c3ccc(Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])cc3)c2O)cc1.[Cr+3].[H+].[Na+].[Na+].[Na+]
InChIInChI=1S/C30H19N11O17S2.C30H19N11O14S.Cr.3Na/c42-28-20(10-18(39(47)48)11-24(28)41(51)52)35-36-22-13-21(29(43)27(30(22)44)37-33-16-5-8-23(40(49)50)26(9-16)60(56,57)58)34-32-15-3-1-14(2-4-15)31-19-7-6-17(38(45)46)12-25(19)59(53,54)55;42-28-22(11-20(40(49)50)12-25(28)41(51)52)35-36-24-14-23(29(43)27(30(24)44)37-33-17-5-7-18(8-6-17)38(45)46)34-32-16-3-1-15(2-4-16)31-21-10-9-19(39(47)48)13-26(21)56(53,54)55;;;;/h1-13,31,42-44H,(H,53,54,55)(H,56,57,58);1-14,31,42-44H,(H,53,54,55);;;;/q;;+3;3*+1/p-6/b2*34-32+,36-35+,37-33+;;;;
InChIKeyVMUSWPFSJAZTEN-VVDPVQMZSA-H
MW1774.21 g/mol
LogP4.16
Rot. Bonds27

About trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron

trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron (PubChem CID 25040440) has the molecular formula C60H32CrN22Na3O31S3 and a molecular weight of 1774.21 g/mol. Its IUPAC name is trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron.

Molecular Properties

Compound Nametrisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron
PubChem CID25040440
Molecular FormulaC60H32CrN22Na3O31S3
Molecular Weight1774.21 g/mol
Exact Mass1772.99
IUPAC Nametrisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron
SMILESO=[N+]([O-])c1cc(/N=N/c2cc(/N=N/c3ccc(Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])cc3)c(O)c(/N=N/c3ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c3)c2[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(/N=N/c2c([O-])c(/N=N/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])cc(/N=N/c3ccc(Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])cc3)c2O)cc1.[Cr+3].[H+].[Na+].[Na+].[Na+]
InChIInChI=1S/C30H19N11O17S2.C30H19N11O14S.Cr.3Na/c42-28-20(10-18(39(47)48)11-24(28)41(51)52)35-36-22-13-21(29(43)27(30(22)44)37-33-16-5-8-23(40(49)50)26(9-16)60(56,57)58)34-32-15-3-1-14(2-4-15)31-19-7-6-17(38(45)46)12-25(19)59(53,54)55;42-28-22(11-20(40(49)50)12-25(28)41(51)52)35-36-24-14-23(29(43)27(30(24)44)37-33-17-5-7-18(8-6-17)38(45)46)34-32-16-3-1-15(2-4-16)31-21-10-9-19(39(47)48)13-26(21)56(53,54)55;;;;/h1-13,31,42-44H,(H,53,54,55)(H,56,57,58);1-14,31,42-44H,(H,53,54,55);;;;/q;;+3;3*+1/p-6/b2*34-32+,36-35+,37-33+;;;;
InChIKeyVMUSWPFSJAZTEN-VVDPVQMZSA-H
XLogP4.16
TPSA821.80 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001774.21
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron with MolForge

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Related Compounds

trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitro-2-sulfonatophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;hydron
CID 165360981
sodium;azane;2-[4-[[3-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2,6-dioxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;4-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]benzene-1,3-diol;iron(3+)
CID 170840581
copper 1-[[2-hydroxy-3-[(4-nitrophenyl)diazenyl]-5-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]-4-oxidophenyl]diazenyl]-6-nitro-4-sulfonaphthalen-2-olate
CID 170840323
trisodium;5-[[5-[(4-anilino-3-sulfonatophenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135854078
4-[[2,4-dihydroxy-3,5-bis[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 165363378
copper;hydron;3-[[4-hydroxy-3-[(4-nitro-2-sulfonatophenyl)diazenyl]-2-oxidophenyl]diazenyl]-5-nitro-2-oxidobenzenesulfonate
CID 165361128
SODIUM 4-(4-(2,4-DINITRO-PHENYLAMINO)-2-NITRO-PHENYLAZO)-BENZENESULFONATE
CID 126959950
5-(2,4-dinitroanilino)-2-(4-methylanilino)benzenesulfonate
CID 4290014
sodium;bis(2-[(2-anilinonaphthalen-1-yl)diazenyl]-4,6-dinitrophenolate);cobalt
CID 170841725
disodium;6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonate
CID 135854074
2,4-diamino-5-[(3,5-dinitro-2-oxidophenyl)diazenyl]benzenesulfonate
CID 7142176
sodium 6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
CID 137099563

Frequently Asked Questions

What is the IUPAC name of trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron?
The IUPAC name of trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron (CID 25040440) is trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron.
What is the SMILES notation for trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron?
The canonical SMILES for trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron is O=[N+]([O-])c1cc(/N=N/c2cc(/N=N/c3ccc(Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])cc3)c(O)c(/N=N/c3ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c3)c2[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1ccc(/N=N/c2c([O-])c(/N=N/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])cc(/N=N/c3ccc(Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])cc3)c2O)cc1.[Cr+3].[H+].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron?
The InChIKey is VMUSWPFSJAZTEN-VVDPVQMZSA-H. The full InChI is InChI=1S/C30H19N11O17S2.C30H19N11O14S.Cr.3Na/c42-28-20(10-18(39(47)48)11-24(28)41(51)52)35-36-22-13-21(29(43)27(30(22)44)37-33-16-5-8-23(40(49)50)26(9-16)60(56,57)58)34-32-15-3-1-14(2-4-15)31-19-7-6-17(38(45)46)12-25(19)59(53,54)55;42-28-22(11-20(40(49)50)12-25(28)41(51)52)35-36-24-14-23(29(43)27(30(24)44)37-33-17-5-7-18(8-6-17)38(45)46)34-32-16-3-1-15(2-4-16)31-21-10-9-19(39(47)48)13-26(21)56(53,54)55;;;;/h1-13,31,42-44H,(H,53,54,55)(H,56,57,58);1-14,31,42-44H,(H,53,54,55);;;;/q;;+3;3*+1/p-6/b2*34-32+,36-35+,37-33+;;;;.
What are the key properties of trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron?
trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron has a molecular weight of 1774.21 g/mol, XLogP of 4.16, 27 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;chromium(3+);2-[4-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[(4-nitrophenyl)diazenyl]-4-oxidophenyl]diazenyl]anilino]-5-nitrobenzenesulfonate;5-[[5-[(3,5-dinitro-2-oxidophenyl)diazenyl]-2-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-6-oxidophenyl]diazenyl]-2-nitrobenzenesulfonate;hydron is sourced from PubChem (CID 25040440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).