cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron

C43H49FeNP2 — CID 131730615

IUPACcyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron
SMILESC1CCCC1.CN(C)[C@H](c1cccc(P(c2ccccc2)c2ccccc2)c1)C1CCCC1P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C38H39NP2.C5H10.Fe/c1-39(2)38(36-27-16-28-37(36)41(33-22-11-5-12-23-33)34-24-13-6-14-25-34)30-17-15-26-35(29-30)40(31-18-7-3-8-19-31)32-20-9-4-10-21-32;1-2-4-5-3-1;/h3-15,17-26,29,36-38H,16,27-28H2,1-2H3;1-5H2;/t36?,37?,38-;;/m1../s1
InChIKeyZFKFIACYNZOSDG-JBAAILRCSA-N
MW697.66 g/mol
LogP9.30
Rot. Bonds9

About cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron

cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron (PubChem CID 131730615) has the molecular formula C43H49FeNP2 and a molecular weight of 697.66 g/mol. Its IUPAC name is cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron.

Molecular Properties

Compound Namecyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron
PubChem CID131730615
Molecular FormulaC43H49FeNP2
Molecular Weight697.66 g/mol
Exact Mass697.27
IUPAC Namecyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron
SMILESC1CCCC1.CN(C)[C@H](c1cccc(P(c2ccccc2)c2ccccc2)c1)C1CCCC1P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C38H39NP2.C5H10.Fe/c1-39(2)38(36-27-16-28-37(36)41(33-22-11-5-12-23-33)34-24-13-6-14-25-34)30-17-15-26-35(29-30)40(31-18-7-3-8-19-31)32-20-9-4-10-21-32;1-2-4-5-3-1;/h3-15,17-26,29,36-38H,16,27-28H2,1-2H3;1-5H2;/t36?,37?,38-;;/m1../s1
InChIKeyZFKFIACYNZOSDG-JBAAILRCSA-N
XLogP9.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.66
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
CID 137319737
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(4-methoxy-3-methylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
CID 118909028
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
CID 162272143
carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene
CID 162295074
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron
CID 162302535
1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane
CID 159987676
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916

Frequently Asked Questions

What is the IUPAC name of cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
The IUPAC name of cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron (CID 131730615) is cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron.
What is the SMILES notation for cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
The canonical SMILES for cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron is C1CCCC1.CN(C)[C@H](c1cccc(P(c2ccccc2)c2ccccc2)c1)C1CCCC1P(c1ccccc1)c1ccccc1.[Fe].
What is the InChIKey of cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
The InChIKey is ZFKFIACYNZOSDG-JBAAILRCSA-N. The full InChI is InChI=1S/C38H39NP2.C5H10.Fe/c1-39(2)38(36-27-16-28-37(36)41(33-22-11-5-12-23-33)34-24-13-6-14-25-34)30-17-15-26-35(29-30)40(31-18-7-3-8-19-31)32-20-9-4-10-21-32;1-2-4-5-3-1;/h3-15,17-26,29,36-38H,16,27-28H2,1-2H3;1-5H2;/t36?,37?,38-;;/m1../s1.
What are the key properties of cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron?
cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron has a molecular weight of 697.66 g/mol, XLogP of 9.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron is sourced from PubChem (CID 131730615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).