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

CID 2735897
CID 2735897
CID 122392
CID 122392
CID 16211291
CID 16211291
CID 15182658
CID 15182658
CID 71311578
CID 71311578
CID 5017640
CID 5017640
CID 635956
CID 635956
CID 2775371
CID 2775371
CID 90477763
CID 90477763
CID 121000176
CID 121000176
CID 4189396
CID 4189396
CID 12683657
CID 12683657

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).