bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)

C34H32FeO4P2 — CID 18714284

IUPACbis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)
SMILESC1=CC(P(Oc2ccccc2)Oc2ccccc2)[CH-]C1.C1=CC(P(Oc2ccccc2)Oc2ccccc2)[CH-]C1.[Fe+2]
InChIInChI=1S/2C17H16O2P.Fe/c2*1-3-9-15(10-4-1)18-20(17-13-7-8-14-17)19-16-11-5-2-6-12-16;/h2*1-7,9-14,17H,8H2;/q2*-1;+2
InChIKeyCFFHDMDUJRUAMT-UHFFFAOYSA-N
MW622.42 g/mol
LogP9.98
Rot. Bonds10

About bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)

bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+) (PubChem CID 18714284) has the molecular formula C34H32FeO4P2 and a molecular weight of 622.42 g/mol. Its IUPAC name is bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+).

Molecular Properties

Compound Namebis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)
PubChem CID18714284
Molecular FormulaC34H32FeO4P2
Molecular Weight622.42 g/mol
Exact Mass622.11
IUPAC Namebis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)
SMILESC1=CC(P(Oc2ccccc2)Oc2ccccc2)[CH-]C1.C1=CC(P(Oc2ccccc2)Oc2ccccc2)[CH-]C1.[Fe+2]
InChIInChI=1S/2C17H16O2P.Fe/c2*1-3-9-15(10-4-1)18-20(17-13-7-8-14-17)19-16-11-5-2-6-12-16;/h2*1-7,9-14,17H,8H2;/q2*-1;+2
InChIKeyCFFHDMDUJRUAMT-UHFFFAOYSA-N
XLogP9.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.42
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)?
The IUPAC name of bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+) (CID 18714284) is bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+).
What is the SMILES notation for bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)?
The canonical SMILES for bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+) is C1=CC(P(Oc2ccccc2)Oc2ccccc2)[CH-]C1.C1=CC(P(Oc2ccccc2)Oc2ccccc2)[CH-]C1.[Fe+2].
What is the InChIKey of bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)?
The InChIKey is CFFHDMDUJRUAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16O2P.Fe/c2*1-3-9-15(10-4-1)18-20(17-13-7-8-14-17)19-16-11-5-2-6-12-16;/h2*1-7,9-14,17H,8H2;/q2*-1;+2.
What are the key properties of bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+)?
bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+) has a molecular weight of 622.42 g/mol, XLogP of 9.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopent-2-en-1-yl(diphenoxy)phosphane);iron(2+) is sourced from PubChem (CID 18714284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).