carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate

C39H41CrF6O4P3 — CID 139105818

IUPACcarbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[Cr+2].c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C5H5.2C3H6O.2CO.Cr.F6P/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;2*1-3(2)4;2*1-2;;1-7(2,3,4,5)6/h1-20H,21-22H2;1-5H;2*1-2H3;;;;/q;-1;;;;;+2;-1
InChIKeyYOJXDSZONCVQAH-UHFFFAOYSA-N
MW832.66 g/mol
LogP11.15
Rot. Bonds7

About carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate

carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate (PubChem CID 139105818) has the molecular formula C39H41CrF6O4P3 and a molecular weight of 832.66 g/mol. Its IUPAC name is carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate.

Molecular Properties

Compound Namecarbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate
PubChem CID139105818
Molecular FormulaC39H41CrF6O4P3
Molecular Weight832.66 g/mol
Exact Mass832.15
IUPAC Namecarbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[Cr+2].c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C5H5.2C3H6O.2CO.Cr.F6P/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;2*1-3(2)4;2*1-2;;1-7(2,3,4,5)6/h1-20H,21-22H2;1-5H;2*1-2H3;;;;/q;-1;;;;;+2;-1
InChIKeyYOJXDSZONCVQAH-UHFFFAOYSA-N
XLogP11.15
TPSA73.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.66
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'phosphor', 'substructure': 'N/A'}

Analyze carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-diphenylphosphanylethyl(diphenyl)phosphane;palladium;bis(2,2,2-trifluoroacetic acid)
CID 134991896
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
acetic acid;carbon monoxide;manganese;triphenylphosphane
CID 134882790
acetic acid;carbon monoxide;ruthenium;bis(triphenylphosphane)
CID 11967474
bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate
CID 139126896
CID 10930139
CID 10930139
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
3-diphenylphosphanylpropyl acetate
CID 57133096
carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
CID 11986665
CID 50897341
CID 50897341

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate?
The IUPAC name of carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate (CID 139105818) is carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate.
What is the SMILES notation for carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate?
The canonical SMILES for carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate is CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[Cr+2].c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate?
The InChIKey is YOJXDSZONCVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.C5H5.2C3H6O.2CO.Cr.F6P/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;2*1-3(2)4;2*1-2;;1-7(2,3,4,5)6/h1-20H,21-22H2;1-5H;2*1-2H3;;;;/q;-1;;;;;+2;-1.
What are the key properties of carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate?
carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate has a molecular weight of 832.66 g/mol, XLogP of 11.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium(2+);cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;bis(propan-2-one);hexafluorophosphate is sourced from PubChem (CID 139105818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).