chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten

C65H60CrMoN5NbTaW-5 — CID 161003360

IUPACchromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten
SMILESCc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.[Cr].[Mo].[Nb].[Ta].[W]
InChIInChI=1S/5C13H12N.Cr.Mo.Nb.Ta.W/c5*1-11-6-5-9-13(14-11)10-12-7-3-2-4-8-12;;;;;/h5*2-7,9H,10H2,1H3;;;;;/q5*-1;;;;;
InChIKeyVJBUEQXDHYPOKP-UHFFFAOYSA-N
MW1516.86 g/mol
LogP13.89
Rot. Bonds10

About chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten

chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten (PubChem CID 161003360) has the molecular formula C65H60CrMoN5NbTaW-5 and a molecular weight of 1516.86 g/mol. Its IUPAC name is chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten.

Molecular Properties

Compound Namechromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten
PubChem CID161003360
Molecular FormulaC65H60CrMoN5NbTaW-5
Molecular Weight1516.86 g/mol
Exact Mass1518.14
IUPAC Namechromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten
SMILESCc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.[Cr].[Mo].[Nb].[Ta].[W]
InChIInChI=1S/5C13H12N.Cr.Mo.Nb.Ta.W/c5*1-11-6-5-9-13(14-11)10-12-7-3-2-4-8-12;;;;;/h5*2-7,9H,10H2,1H3;;;;;/q5*-1;;;;;
InChIKeyVJBUEQXDHYPOKP-UHFFFAOYSA-N
XLogP13.89
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001516.86
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
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2-(2-fluoroethyl)-6-methylpyridine
CID 70660766
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CID 79266900

Frequently Asked Questions

What is the IUPAC name of chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten?
The IUPAC name of chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten (CID 161003360) is chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten.
What is the SMILES notation for chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten?
The canonical SMILES for chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten is Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.Cc1cccc(Cc2[c-]cccc2)n1.[Cr].[Mo].[Nb].[Ta].[W].
What is the InChIKey of chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten?
The InChIKey is VJBUEQXDHYPOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C13H12N.Cr.Mo.Nb.Ta.W/c5*1-11-6-5-9-13(14-11)10-12-7-3-2-4-8-12;;;;;/h5*2-7,9H,10H2,1H3;;;;;/q5*-1;;;;;.
What are the key properties of chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten?
chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten has a molecular weight of 1516.86 g/mol, XLogP of 13.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;pentakis(2-methyl-6-(phenylmethyl)pyridine);molybdenum;niobium;tantalum;tungsten is sourced from PubChem (CID 161003360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).