carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene

C41H53FeP — CID 162295074

IUPACcarbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1[C@@H](C)c1ccccc1.C[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C25H27P.C14H20.2CH3.Fe/c1-20(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;1-11-7-6-10-14(11)12(2)13-8-4-3-5-9-13;;;/h2-10,12-17,20,24-25H,11,18-19H2,1H3;3-5,8-9,11-12,14H,6-7,10H2,1-2H3;2*1H3;/q;;2*-1;+2/t20-,24?,25?;11?,12-,14?;;;/m00.../s1
InChIKeyTXPVJUDWEBZRSU-AJKUOFONSA-N
MW632.69 g/mol
LogP11.22
Rot. Bonds7

About carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene

carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene (PubChem CID 162295074) has the molecular formula C41H53FeP and a molecular weight of 632.69 g/mol. Its IUPAC name is carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene.

Molecular Properties

Compound Namecarbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene
PubChem CID162295074
Molecular FormulaC41H53FeP
Molecular Weight632.69 g/mol
Exact Mass632.32
IUPAC Namecarbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1[C@@H](C)c1ccccc1.C[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C25H27P.C14H20.2CH3.Fe/c1-20(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;1-11-7-6-10-14(11)12(2)13-8-4-3-5-9-13;;;/h2-10,12-17,20,24-25H,11,18-19H2,1H3;3-5,8-9,11-12,14H,6-7,10H2,1-2H3;2*1H3;/q;;2*-1;+2/t20-,24?,25?;11?,12-,14?;;;/m00.../s1
InChIKeyTXPVJUDWEBZRSU-AJKUOFONSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.69
LogP ≤ 511.22
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;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
CID 162272143
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
1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane
CID 159987676
[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
CID 11698892
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-diphenylphosphane
CID 58900670

Frequently Asked Questions

What is the IUPAC name of carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene?
The IUPAC name of carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene (CID 162295074) is carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene.
What is the SMILES notation for carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene?
The canonical SMILES for carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene is CC1CCCC1[C@@H](C)c1ccccc1.C[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene?
The InChIKey is TXPVJUDWEBZRSU-AJKUOFONSA-N. The full InChI is InChI=1S/C25H27P.C14H20.2CH3.Fe/c1-20(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;1-11-7-6-10-14(11)12(2)13-8-4-3-5-9-13;;;/h2-10,12-17,20,24-25H,11,18-19H2,1H3;3-5,8-9,11-12,14H,6-7,10H2,1-2H3;2*1H3;/q;;2*-1;+2/t20-,24?,25?;11?,12-,14?;;;/m00.../s1.
What are the key properties of carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene?
carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene has a molecular weight of 632.69 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene is sourced from PubChem (CID 162295074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).