bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)

C34H28FeP2 — CID 15182658

IUPACbis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)
SMILES[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q2*-1;+2
InChIKeyKZPYGQFFRCFCPP-UHFFFAOYSA-N
MW554.39 g/mol
LogP6.32
Rot. Bonds6

About bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)

bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+) (PubChem CID 15182658) has the molecular formula C34H28FeP2 and a molecular weight of 554.39 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)
PubChem CID15182658
Molecular FormulaC34H28FeP2
Molecular Weight554.39 g/mol
Exact Mass554.10
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)
SMILES[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q2*-1;+2
InChIKeyKZPYGQFFRCFCPP-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.39
LogP ≤ 56.32
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 bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+) (CID 15182658) is bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+).
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+) is [Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)?
The InChIKey is KZPYGQFFRCFCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q2*-1;+2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)?
bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+) has a molecular weight of 554.39 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+) is sourced from PubChem (CID 15182658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).