cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron

C17H14FeP- — CID 140759998

IUPACcyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron
SMILES[Fe].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/C17H14P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h1-14H;/q-1;
InChIKeyIVHSOQRPAFCTQT-UHFFFAOYSA-N
MW305.12 g/mol
LogP3.16
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron

cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron (PubChem CID 140759998) has the molecular formula C17H14FeP- and a molecular weight of 305.12 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron
PubChem CID140759998
Molecular FormulaC17H14FeP-
Molecular Weight305.12 g/mol
Exact Mass305.02
IUPAC Namecyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron
SMILES[Fe].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/C17H14P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h1-14H;/q-1;
InChIKeyIVHSOQRPAFCTQT-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron?
The IUPAC name of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron (CID 140759998) is cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron is [Fe].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron?
The InChIKey is IVHSOQRPAFCTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h1-14H;/q-1;.
What are the key properties of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron?
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron has a molecular weight of 305.12 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron is sourced from PubChem (CID 140759998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).