carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)

C24H52FeP2 — CID 91654226

IUPACcarbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)
SMILESCC(C)P(C(C)C)C1CCCC1.CC(C)P(C(C)C)C1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C11H23P.2CH3.Fe/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;;/h2*9-11H,5-8H2,1-4H3;2*1H3;/q;;2*-1;+2
InChIKeyUPZNKXTZCJAXQS-UHFFFAOYSA-N
MW458.47 g/mol
LogP9.35
Rot. Bonds6

About carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)

carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+) (PubChem CID 91654226) has the molecular formula C24H52FeP2 and a molecular weight of 458.47 g/mol. Its IUPAC name is carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+).

Molecular Properties

Compound Namecarbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)
PubChem CID91654226
Molecular FormulaC24H52FeP2
Molecular Weight458.47 g/mol
Exact Mass458.29
IUPAC Namecarbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)
SMILESCC(C)P(C(C)C)C1CCCC1.CC(C)P(C(C)C)C1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C11H23P.2CH3.Fe/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;;/h2*9-11H,5-8H2,1-4H3;2*1H3;/q;;2*-1;+2
InChIKeyUPZNKXTZCJAXQS-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 59.35
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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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)?
The IUPAC name of carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+) (CID 91654226) is carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+).
What is the SMILES notation for carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)?
The canonical SMILES for carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+) is CC(C)P(C(C)C)C1CCCC1.CC(C)P(C(C)C)C1CCCC1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)?
The InChIKey is UPZNKXTZCJAXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23P.2CH3.Fe/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;;/h2*9-11H,5-8H2,1-4H3;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+)?
carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+) has a molecular weight of 458.47 g/mol, XLogP of 9.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopentyl-di(propan-2-yl)phosphane);iron(2+) is sourced from PubChem (CID 91654226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).