chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol

C30H33CrN6O6 — CID 139070718

IUPACchromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol
SMILESCO.CO.CO.[Cr+3].[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1
InChIInChI=1S/3C9H8N2O.3CH4O.Cr/c3*12-8-4-2-1-3-7(8)9-10-5-6-11-9;3*1-2;/h3*1-6,12H,(H,10,11);3*2H,1H3;/q;;;;;;+3/p-3
InChIKeyLKINHBGKWIMJFZ-UHFFFAOYSA-K
MW625.63 g/mol
LogP2.27
Rot. Bonds3

About chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol

chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol (PubChem CID 139070718) has the molecular formula C30H33CrN6O6 and a molecular weight of 625.63 g/mol. Its IUPAC name is chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol.

Molecular Properties

Compound Namechromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol
PubChem CID139070718
Molecular FormulaC30H33CrN6O6
Molecular Weight625.63 g/mol
Exact Mass625.19
IUPAC Namechromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol
SMILESCO.CO.CO.[Cr+3].[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1
InChIInChI=1S/3C9H8N2O.3CH4O.Cr/c3*12-8-4-2-1-3-7(8)9-10-5-6-11-9;3*1-2;/h3*1-6,12H,(H,10,11);3*2H,1H3;/q;;;;;;+3/p-3
InChIKeyLKINHBGKWIMJFZ-UHFFFAOYSA-K
XLogP2.27
TPSA215.91 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.63
LogP ≤ 52.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

Bis[2-(1H-imidazol-2-yl)phenolato-kappa^2^N,O]zinc(II) methanol solvate
CID 139070671
cobalt(2+);bis(2-(1H-imidazol-2-yl)phenolate);methanol
CID 139173835
bis(2-(1H-imidazol-2-yl)phenolate);methylsulfinylmethane;oxygen(2-);vanadium(4+)
CID 168342595
2-(1H-imidazol-3-ium-2-yl)phenolate;2-(1H-imidazol-2-yl)phenolate;bis(oxygen(2-));vanadium
CID 168342596
Beryllium bis(2-(1-methylimidazol-3-ium-2-yl)phenolate)
CID 57763929
Bis(2-(1-methylimidazol-2-yl)phenol);ZINC
CID 136161247

Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol?
The IUPAC name of chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol (CID 139070718) is chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol.
What is the SMILES notation for chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol?
The canonical SMILES for chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol is CO.CO.CO.[Cr+3].[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1.[O-]c1ccccc1-c1ncc[nH]1.
What is the InChIKey of chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol?
The InChIKey is LKINHBGKWIMJFZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H8N2O.3CH4O.Cr/c3*12-8-4-2-1-3-7(8)9-10-5-6-11-9;3*1-2;/h3*1-6,12H,(H,10,11);3*2H,1H3;/q;;;;;;+3/p-3.
What are the key properties of chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol?
chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol has a molecular weight of 625.63 g/mol, XLogP of 2.27, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(2-(1H-imidazol-2-yl)phenolate);methanol is sourced from PubChem (CID 139070718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).