chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)

C31H31CrN6 — CID 87760124

IUPACchromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)
SMILESC.Cc1cc(-c2ccccc2)n[n-]1.Cc1cc(-c2ccccc2)n[n-]1.Cc1cc(-c2ccccc2)n[n-]1.[Cr+3]
InChIInChI=1S/3C10H9N2.CH4.Cr/c3*1-8-7-10(12-11-8)9-5-3-2-4-6-9;;/h3*2-7H,1H3;1H4;/q3*-1;;+3
InChIKeyHGQUHBYMWCMPJK-UHFFFAOYSA-N
MW539.63 g/mol
LogP6.68
Rot. Bonds3

About chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)

chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide) (PubChem CID 87760124) has the molecular formula C31H31CrN6 and a molecular weight of 539.63 g/mol. Its IUPAC name is chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide).

Molecular Properties

Compound Namechromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)
PubChem CID87760124
Molecular FormulaC31H31CrN6
Molecular Weight539.63 g/mol
Exact Mass539.20
IUPAC Namechromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)
SMILESC.Cc1cc(-c2ccccc2)n[n-]1.Cc1cc(-c2ccccc2)n[n-]1.Cc1cc(-c2ccccc2)n[n-]1.[Cr+3]
InChIInChI=1S/3C10H9N2.CH4.Cr/c3*1-8-7-10(12-11-8)9-5-3-2-4-6-9;;/h3*2-7H,1H3;1H4;/q3*-1;;+3
InChIKeyHGQUHBYMWCMPJK-UHFFFAOYSA-N
XLogP6.68
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)?
The IUPAC name of chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide) (CID 87760124) is chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide).
What is the SMILES notation for chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)?
The canonical SMILES for chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide) is C.Cc1cc(-c2ccccc2)n[n-]1.Cc1cc(-c2ccccc2)n[n-]1.Cc1cc(-c2ccccc2)n[n-]1.[Cr+3].
What is the InChIKey of chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)?
The InChIKey is HGQUHBYMWCMPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H9N2.CH4.Cr/c3*1-8-7-10(12-11-8)9-5-3-2-4-6-9;;/h3*2-7H,1H3;1H4;/q3*-1;;+3.
What are the key properties of chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide)?
chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide) has a molecular weight of 539.63 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);methane;tris(5-methyl-3-phenylpyrazol-1-ide) is sourced from PubChem (CID 87760124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).