carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)

C44H64FeP2 — CID 155819532

IUPACcarbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
SMILESC1CCCC1.C[C@H](C1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C37H48P2.C5H10.2CH3.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;;;/h4-5,10-15,21-25,28-31,34-35H,2-3,6-9,16-20,26-27H2,1H3;1-5H2;2*1H3;/q;;2*-1;+2/t29-,34?,35?;;;;/m1..../s1
InChIKeyCMVAZEYHCMEZQX-CCZVIFFWSA-N
MW710.79 g/mol
LogP12.71
Rot. Bonds8

About carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)

carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+) (PubChem CID 155819532) has the molecular formula C44H64FeP2 and a molecular weight of 710.79 g/mol. Its IUPAC name is carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
PubChem CID155819532
Molecular FormulaC44H64FeP2
Molecular Weight710.79 g/mol
Exact Mass710.38
IUPAC Namecarbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
SMILESC1CCCC1.C[C@H](C1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C37H48P2.C5H10.2CH3.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;;;/h4-5,10-15,21-25,28-31,34-35H,2-3,6-9,16-20,26-27H2,1H3;1-5H2;2*1H3;/q;;2*-1;+2/t29-,34?,35?;;;;/m1..../s1
InChIKeyCMVAZEYHCMEZQX-CCZVIFFWSA-N
XLogP12.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.79
LogP ≤ 512.71
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

[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane
CID 98462259
bis[3,5-bis(trifluoromethyl)phenyl]-[1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;cyclopentane;iron
CID 155886280
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
[2-[(1S,2R)-2-diphenylphosphanylcyclopentyl]phenyl]-diphenylphosphane
CID 101125838
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane
CID 162272178
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 138962255
cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron
CID 162300087
ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane
CID 137471998
cyclopentane;dicyclohexyl-[2-[2-[(1R)-1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;iron
CID 162302609
[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane
CID 129046215

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)?
The IUPAC name of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+) (CID 155819532) is carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+).
What is the SMILES notation for carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)?
The canonical SMILES for carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+) is C1CCCC1.C[C@H](C1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)?
The InChIKey is CMVAZEYHCMEZQX-CCZVIFFWSA-N. The full InChI is InChI=1S/C37H48P2.C5H10.2CH3.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;;;/h4-5,10-15,21-25,28-31,34-35H,2-3,6-9,16-20,26-27H2,1H3;1-5H2;2*1H3;/q;;2*-1;+2/t29-,34?,35?;;;;/m1..../s1.
What are the key properties of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)?
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+) has a molecular weight of 710.79 g/mol, XLogP of 12.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+) is sourced from PubChem (CID 155819532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).