carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide

C34H29CrN10O11S- — CID 164940712

IUPACcarbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide
SMILESCc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1C.Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1[O-].[CH3-].[Cr+4].[OH-]
InChIInChI=1S/C17H15N5O6S.C16H13N5O4.CH3.Cr.H2O/c1-10-14(8-13(22(24)25)9-15(10)29(26,27)28)18-19-16-11(2)20-21(17(16)23)12-6-4-3-5-7-12;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;;;/h3-9H,1-2H3,(H2,18,20,23,26,27,28);2-9H,1H3,(H2,17,18,19,22,23);1H3;;1H2/q;;-1;+4;/p-4
InChIKeyWLNPANAYWILIOR-UHFFFAOYSA-J
MW837.73 g/mol
LogP5.75
Rot. Bonds9

About carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide

carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide (PubChem CID 164940712) has the molecular formula C34H29CrN10O11S- and a molecular weight of 837.73 g/mol. Its IUPAC name is carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide.

Molecular Properties

Compound Namecarbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide
PubChem CID164940712
Molecular FormulaC34H29CrN10O11S-
Molecular Weight837.73 g/mol
Exact Mass837.11
IUPAC Namecarbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide
SMILESCc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1C.Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1[O-].[CH3-].[Cr+4].[OH-]
InChIInChI=1S/C17H15N5O6S.C16H13N5O4.CH3.Cr.H2O/c1-10-14(8-13(22(24)25)9-15(10)29(26,27)28)18-19-16-11(2)20-21(17(16)23)12-6-4-3-5-7-12;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;;;/h3-9H,1-2H3,(H2,18,20,23,26,27,28);2-9H,1H3,(H2,17,18,19,22,23);1H3;;1H2/q;;-1;+4;/p-4
InChIKeyWLNPANAYWILIOR-UHFFFAOYSA-J
XLogP5.75
TPSA315.35 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.73
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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'}

Analyze carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide?
The IUPAC name of carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide (CID 164940712) is carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide.
What is the SMILES notation for carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide?
The canonical SMILES for carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide is Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1C.Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1[O-].[CH3-].[Cr+4].[OH-].
What is the InChIKey of carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide?
The InChIKey is WLNPANAYWILIOR-UHFFFAOYSA-J. The full InChI is InChI=1S/C17H15N5O6S.C16H13N5O4.CH3.Cr.H2O/c1-10-14(8-13(22(24)25)9-15(10)29(26,27)28)18-19-16-11(2)20-21(17(16)23)12-6-4-3-5-7-12;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;;;/h3-9H,1-2H3,(H2,18,20,23,26,27,28);2-9H,1H3,(H2,17,18,19,22,23);1H3;;1H2/q;;-1;+4;/p-4.
What are the key properties of carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide?
carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide has a molecular weight of 837.73 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chromium(4+);2-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate;hydroxide is sourced from PubChem (CID 164940712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).