azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)

C22H22FeNP — CID 175727216

IUPACazane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)
SMILESN.[Fe+2].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1
InChIInChI=1S/C17H14P.C5H5.Fe.H3N/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;;/h1-14H;1-5H;;1H3/q2*-1;+2;
InChIKeyHRPYAJYDOCYXRP-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.73
Rot. Bonds3

About azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)

azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+) (PubChem CID 175727216) has the molecular formula C22H22FeNP and a molecular weight of 387.24 g/mol. Its IUPAC name is azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+).

Molecular Properties

Compound Nameazane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)
PubChem CID175727216
Molecular FormulaC22H22FeNP
Molecular Weight387.24 g/mol
Exact Mass387.08
IUPAC Nameazane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)
SMILESN.[Fe+2].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1
InChIInChI=1S/C17H14P.C5H5.Fe.H3N/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;;/h1-14H;1-5H;;1H3/q2*-1;+2;
InChIKeyHRPYAJYDOCYXRP-UHFFFAOYSA-N
XLogP4.73
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)
CID 131726015
cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 71311283
cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)
CID 161287754
carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane
CID 139264482
cyclohexa-2,4-dien-1-ylidene-(3-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-phenylphosphanium;cyclopenta-1,3-diene;iron(2+);dichloride
CID 175942183
cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)
CID 160916773
bis(cyclopenta-1,3-diene);bis(1-cyclopenta-1,3-dien-1-yl-N-(2-diphenylphosphanylphenyl)methanimine);bis(dichloromethane);bis(iron(2+));bis(platinum(2+));tetrachloride
CID 139075997
CID 158145102
CID 158145102
triphenylphosphane
CID 139056248
carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane
CID 139264364
bis(cyclopenta-1,3-diene);iron(2+);phenol
CID 173093815
cyclopenta-1,3-diene;dichloroiridium(1+);diphenylphosphinous acid
CID 161215976

Frequently Asked Questions

What is the IUPAC name of azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)?
The IUPAC name of azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+) (CID 175727216) is azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+).
What is the SMILES notation for azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)?
The canonical SMILES for azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+) is N.[Fe+2].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1.
What is the InChIKey of azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)?
The InChIKey is HRPYAJYDOCYXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14P.C5H5.Fe.H3N/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;;/h1-14H;1-5H;;1H3/q2*-1;+2;.
What are the key properties of azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)?
azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+) has a molecular weight of 387.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+) is sourced from PubChem (CID 175727216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).