carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane

C53H64FeP2 — CID 162272143

IUPACcarbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
SMILESC.C[C@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.C[C@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C25H27P.CH4.2CH3.Fe/c2*1-20(21-12-5-2-6-13-21)24-18-11-19-25(24)26(22-14-7-3-8-15-22)23-16-9-4-10-17-23;;;;/h2*2-10,12-17,20,24-25H,11,18-19H2,1H3;1H4;2*1H3;/q;;;2*-1;+2/t2*20-,24?,25?;;;;/m11..../s1
InChIKeyKNLWJRKCCPBJOC-AKRYYVHASA-N
MW818.89 g/mol
LogP13.72
Rot. Bonds10

About carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane

carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane (PubChem CID 162272143) has the molecular formula C53H64FeP2 and a molecular weight of 818.89 g/mol. Its IUPAC name is carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane.

Molecular Properties

Compound Namecarbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
PubChem CID162272143
Molecular FormulaC53H64FeP2
Molecular Weight818.89 g/mol
Exact Mass818.38
IUPAC Namecarbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
SMILESC.C[C@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.C[C@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C25H27P.CH4.2CH3.Fe/c2*1-20(21-12-5-2-6-13-21)24-18-11-19-25(24)26(22-14-7-3-8-15-22)23-16-9-4-10-17-23;;;;/h2*2-10,12-17,20,24-25H,11,18-19H2,1H3;1H4;2*1H3;/q;;;2*-1;+2/t2*20-,24?,25?;;;;/m11..../s1
InChIKeyKNLWJRKCCPBJOC-AKRYYVHASA-N
XLogP13.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.89
LogP ≤ 513.72
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

carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene
CID 162295074
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
CID 137319737
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
[2-[(1R)-1-(2-bromophenyl)ethyl]cyclopentyl]-diphenylphosphane
CID 58903797
[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
CID 11698892
1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane
CID 159987676
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-diphenylphosphane
CID 58900670
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane?
The IUPAC name of carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane (CID 162272143) is carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane.
What is the SMILES notation for carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane?
The canonical SMILES for carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane is C.C[C@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.C[C@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane?
The InChIKey is KNLWJRKCCPBJOC-AKRYYVHASA-N. The full InChI is InChI=1S/2C25H27P.CH4.2CH3.Fe/c2*1-20(21-12-5-2-6-13-21)24-18-11-19-25(24)26(22-14-7-3-8-15-22)23-16-9-4-10-17-23;;;;/h2*2-10,12-17,20,24-25H,11,18-19H2,1H3;1H4;2*1H3;/q;;;2*-1;+2/t2*20-,24?,25?;;;;/m11..../s1.
What are the key properties of carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane?
carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane has a molecular weight of 818.89 g/mol, XLogP of 13.72, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane is sourced from PubChem (CID 162272143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).