chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)

C38H35CrN6O12S2+ — CID 163360241

IUPACchromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)
SMILESCOC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc(S(C)(=O)=O)ccc3O)c12.COC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc(S(C)(=O)=O)ccc3O)c12.[Cr].[H+]
InChIInChI=1S/2C19H17N3O6S.Cr/c2*1-28-19(25)20-13-5-3-4-11-6-8-16(24)18(17(11)13)22-21-14-10-12(29(2,26)27)7-9-15(14)23;/h2*3-10,23-24H,1-2H3,(H,20,25);/p+1/b2*22-21+;
InChIKeyYKGGVXHFVUZQHJ-JTVZJQPRSA-O
MW883.86 g/mol
LogP8.61
Rot. Bonds8

About chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)

chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate) (PubChem CID 163360241) has the molecular formula C38H35CrN6O12S2+ and a molecular weight of 883.86 g/mol. Its IUPAC name is chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate).

Molecular Properties

Compound Namechromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)
PubChem CID163360241
Molecular FormulaC38H35CrN6O12S2+
Molecular Weight883.86 g/mol
Exact Mass883.12
IUPAC Namechromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)
SMILESCOC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc(S(C)(=O)=O)ccc3O)c12.COC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc(S(C)(=O)=O)ccc3O)c12.[Cr].[H+]
InChIInChI=1S/2C19H17N3O6S.Cr/c2*1-28-19(25)20-13-5-3-4-11-6-8-16(24)18(17(11)13)22-21-14-10-12(29(2,26)27)7-9-15(14)23;/h2*3-10,23-24H,1-2H3,(H,20,25);/p+1/b2*22-21+;
InChIKeyYKGGVXHFVUZQHJ-JTVZJQPRSA-O
XLogP8.61
TPSA275.30 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500883.86
LogP ≤ 58.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

sodium;chromium(3+);2-[[2-hydroxy-8-(methoxycarbonylamino)naphthalen-1-yl]diazenyl]-4-methylsulfonylphenolate;1-methoxy-N-[8-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-7-oxidonaphthalen-1-yl]methanimidate
CID 170840375
[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl] N-methylcarbamate
CID 3022818
2-[3-[(8-acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-4-hydroxyphenyl]sulfonylethyl hydrogen sulfate
CID 3022856
sodium;chromium(3+);4-(ethylsulfamoyl)-2-[[2-hydroxy-8-(methoxycarbonylamino)naphthalen-1-yl]diazenyl]phenolate;N-[8-[[5-(ethylsulfamoyl)-2-oxidophenyl]diazenyl]-7-oxidonaphthalen-1-yl]-1-methoxymethanimidate
CID 170841702
sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium
CID 163360365
sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
CID 170840846
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
CID 156599340
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
2-[(8-acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-4-(methylsulfamoyl)phenolate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+)
CID 170845169
6-hydroxy-4-methylsulfonyl-5-(naphthalen-1-yldiazenyl)naphthalene-2-sulfonic acid
CID 143879514
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
CID 141193213
azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium
CID 137314742

Frequently Asked Questions

What is the IUPAC name of chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)?
The IUPAC name of chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate) (CID 163360241) is chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate).
What is the SMILES notation for chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)?
The canonical SMILES for chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate) is COC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc(S(C)(=O)=O)ccc3O)c12.COC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc(S(C)(=O)=O)ccc3O)c12.[Cr].[H+].
What is the InChIKey of chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)?
The InChIKey is YKGGVXHFVUZQHJ-JTVZJQPRSA-O. The full InChI is InChI=1S/2C19H17N3O6S.Cr/c2*1-28-19(25)20-13-5-3-4-11-6-8-16(24)18(17(11)13)22-21-14-10-12(29(2,26)27)7-9-15(14)23;/h2*3-10,23-24H,1-2H3,(H,20,25);/p+1/b2*22-21+;.
What are the key properties of chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)?
chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate) has a molecular weight of 883.86 g/mol, XLogP of 8.61, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate) is sourced from PubChem (CID 163360241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).