carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum

C38H38FeMoO4P2 — CID 117059135

IUPACcarbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Mo].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.4CO.Fe.Mo/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;4*1-2;;/h2*1-6,9-12,17H,7-8,13-14H2;;;;;;
InChIKeyOGFJRIBATYICBJ-UHFFFAOYSA-N
MW772.45 g/mol
LogP7.97
Rot. Bonds6

About carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum

carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum (PubChem CID 117059135) has the molecular formula C38H38FeMoO4P2 and a molecular weight of 772.45 g/mol. Its IUPAC name is carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum.

Molecular Properties

Compound Namecarbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
PubChem CID117059135
Molecular FormulaC38H38FeMoO4P2
Molecular Weight772.45 g/mol
Exact Mass774.06
IUPAC Namecarbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Mo].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/2C17H19P.4CO.Fe.Mo/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;4*1-2;;/h2*1-6,9-12,17H,7-8,13-14H2;;;;;;
InChIKeyOGFJRIBATYICBJ-UHFFFAOYSA-N
XLogP7.97
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.45
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclononyl(diphenyl)phosphane
CID 70908257
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
CID 11079317
CID 11079317
carbon monoxide;chromium;(R)-cyclohexyl-methyl-phenylphosphane
CID 134976520
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
CID 167282833
cyclohexyl-[3-[3-[ethyl(phenyl)phosphanyl]phenyl]phenyl]-phenylphosphane
CID 166868132
CID 76954965
CID 76954965
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
bis(cyclopentyl(diphenyl)phosphane);dichlororuthenium;iron;pyridin-2-ylmethanamine
CID 155885060
CID 89375830
CID 89375830

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum?
The IUPAC name of carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum (CID 117059135) is carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum.
What is the SMILES notation for carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum?
The canonical SMILES for carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Mo].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum?
The InChIKey is OGFJRIBATYICBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19P.4CO.Fe.Mo/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;4*1-2;;/h2*1-6,9-12,17H,7-8,13-14H2;;;;;;.
What are the key properties of carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum?
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum has a molecular weight of 772.45 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum is sourced from PubChem (CID 117059135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).