cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron

C24H23FeP-6 — CID 88769962

IUPACcyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
SMILESCC[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H18P.C5H5.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-2-4-5-3-1;/h3-15H,2H2,1H3;1-5H;/q-1;-5;
InChIKeyCFFRMPBYSSVJBV-UHFFFAOYSA-N
MW398.27 g/mol
LogP5.13
Rot. Bonds4

About cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron

cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron (PubChem CID 88769962) has the molecular formula C24H23FeP-6 and a molecular weight of 398.27 g/mol. Its IUPAC name is cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron.

Molecular Properties

Compound Namecyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
PubChem CID88769962
Molecular FormulaC24H23FeP-6
Molecular Weight398.27 g/mol
Exact Mass398.09
IUPAC Namecyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
SMILESCC[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H18P.C5H5.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-2-4-5-3-1;/h3-15H,2H2,1H3;1-5H;/q-1;-5;
InChIKeyCFFRMPBYSSVJBV-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
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

cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron
CID 87353736
cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron
CID 87948416
(1R)-N-benzyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine;cyclopentane;iron
CID 87708507
cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron
CID 87708681
cyclopentane;dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87113937
cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
CID 175107050
cyclopentane;(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1R)-1-phenylethyl]ethanamine;iron
CID 87708660
butane;triphenylphosphane
CID 161447439
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
CID 174302734
ethane;triphenylphosphane
CID 90942156
platinum(2+);bis(propan-1-one);bis(triphenylphosphane)
CID 11018297

Frequently Asked Questions

What is the IUPAC name of cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron?
The IUPAC name of cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron (CID 88769962) is cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron.
What is the SMILES notation for cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron?
The canonical SMILES for cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron is CC[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron?
The InChIKey is CFFRMPBYSSVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18P.C5H5.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-2-4-5-3-1;/h3-15H,2H2,1H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron?
cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron has a molecular weight of 398.27 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron is sourced from PubChem (CID 88769962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).