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

C30H36FeP2 — CID 71311578

IUPACcyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)
SMILESCC(C)(C)P(c1cc[cH-]c1)C(C)(C)C.[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/C17H14P.C13H22P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-14H;7-10H,1-6H3;/q2*-1;+2
InChIKeyKVXWCDXJSYVISP-UHFFFAOYSA-N
MW514.41 g/mol
LogP7.27
Rot. Bonds4

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

cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+) (PubChem CID 71311578) has the molecular formula C30H36FeP2 and a molecular weight of 514.41 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)
PubChem CID71311578
Molecular FormulaC30H36FeP2
Molecular Weight514.41 g/mol
Exact Mass514.16
IUPAC Namecyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)
SMILESCC(C)(C)P(c1cc[cH-]c1)C(C)(C)C.[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/C17H14P.C13H22P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-14H;7-10H,1-6H3;/q2*-1;+2
InChIKeyKVXWCDXJSYVISP-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.41
LogP ≤ 57.27
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'}

Analyze cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)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

Related Compounds

cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron
CID 140759998
bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium
CID 131739839
tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))
CID 131740436
argon;bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)
CID 131729371
tripotassium;bis(ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane);iron(2+);palladium(2+);diacetate;phosphate
CID 131745012
2,2-dimethylpropane;triphenylphosphane
CID 143924519
ditert-butyl(phenyl)phosphane;dichloropalladium
CID 87286096
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)?
The IUPAC name of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+) (CID 71311578) is cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+).
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+) is CC(C)(C)P(c1cc[cH-]c1)C(C)(C)C.[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)?
The InChIKey is KVXWCDXJSYVISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14P.C13H22P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-14H;7-10H,1-6H3;/q2*-1;+2.
What are the key properties of cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)?
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+) has a molecular weight of 514.41 g/mol, XLogP of 7.27, 4 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;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+) is sourced from PubChem (CID 71311578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).