1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron

C24H23FeP-6 — CID 87995622

IUPAC1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron
SMILESCC([c-]1cccc1)P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H18P.C5H5.Fe/c1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-19;1-2-4-5-3-1;/h2-16H,1H3;1-5H;/q-1;-5;
InChIKeyVCZOIXMFIPCPPM-UHFFFAOYSA-N
MW398.27 g/mol
LogP6.00
Rot. Bonds4

About 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron

1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron (PubChem CID 87995622) has the molecular formula C24H23FeP-6 and a molecular weight of 398.27 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron
PubChem CID87995622
Molecular FormulaC24H23FeP-6
Molecular Weight398.27 g/mol
Exact Mass398.09
IUPAC Name1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron
SMILESCC([c-]1cccc1)P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H18P.C5H5.Fe/c1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-19;1-2-4-5-3-1;/h2-16H,1H3;1-5H;/q-1;-5;
InChIKeyVCZOIXMFIPCPPM-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.27
LogP ≤ 56.00
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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Related Compounds

cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
CID 174302734
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;dichloronickel;iron
CID 87962798
cyclopentane;ditert-butyl-[1-[2-[methyl(phenyl)phosphanyl]cyclopenta-2,4-dien-1-yl]ethyl]phosphane;iron
CID 87295938
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride
CID 173329991
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
CID 174391548
1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron
CID 174218525
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron (CID 87995622) is 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron is CC([c-]1cccc1)P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron?
The InChIKey is VCZOIXMFIPCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18P.C5H5.Fe/c1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-19;1-2-4-5-3-1;/h2-16H,1H3;1-5H;/q-1;-5;.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron?
1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron has a molecular weight of 398.27 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron is sourced from PubChem (CID 87995622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).