zinc bis(dicyclohexyl(phenyl)phosphane)

C36H52P2Zn — CID 177400606

IUPACzinc bis(dicyclohexyl(phenyl)phosphane)
SMILES[Zn+2].[c-]1ccccc1P(C1CCCCC1)C1CCCCC1.[c-]1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C18H26P.Zn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1,4-5,10,17-18H,2-3,6-9,12-15H2;/q2*-1;+2
InChIKeyZRPSKKCXZHMVEY-UHFFFAOYSA-N
MW612.15 g/mol
LogP10.52
Rot. Bonds6

About zinc bis(dicyclohexyl(phenyl)phosphane)

zinc bis(dicyclohexyl(phenyl)phosphane) (PubChem CID 177400606) has the molecular formula C36H52P2Zn and a molecular weight of 612.15 g/mol. Its IUPAC name is zinc bis(dicyclohexyl(phenyl)phosphane).

Molecular Properties

Compound Namezinc bis(dicyclohexyl(phenyl)phosphane)
PubChem CID177400606
Molecular FormulaC36H52P2Zn
Molecular Weight612.15 g/mol
Exact Mass610.28
IUPAC Namezinc bis(dicyclohexyl(phenyl)phosphane)
SMILES[Zn+2].[c-]1ccccc1P(C1CCCCC1)C1CCCCC1.[c-]1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C18H26P.Zn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1,4-5,10,17-18H,2-3,6-9,12-15H2;/q2*-1;+2
InChIKeyZRPSKKCXZHMVEY-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.15
LogP ≤ 510.52
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

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CID 70908257
2-(2-dicyclohexylphosphanylphenyl)phenol
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Frequently Asked Questions

What is the IUPAC name of zinc bis(dicyclohexyl(phenyl)phosphane)?
The IUPAC name of zinc bis(dicyclohexyl(phenyl)phosphane) (CID 177400606) is zinc bis(dicyclohexyl(phenyl)phosphane).
What is the SMILES notation for zinc bis(dicyclohexyl(phenyl)phosphane)?
The canonical SMILES for zinc bis(dicyclohexyl(phenyl)phosphane) is [Zn+2].[c-]1ccccc1P(C1CCCCC1)C1CCCCC1.[c-]1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of zinc bis(dicyclohexyl(phenyl)phosphane)?
The InChIKey is ZRPSKKCXZHMVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26P.Zn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1,4-5,10,17-18H,2-3,6-9,12-15H2;/q2*-1;+2.
What are the key properties of zinc bis(dicyclohexyl(phenyl)phosphane)?
zinc bis(dicyclohexyl(phenyl)phosphane) has a molecular weight of 612.15 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(dicyclohexyl(phenyl)phosphane) is sourced from PubChem (CID 177400606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).