cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane

C33H36P2 — CID 167282833

IUPACcyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
SMILESCCCP(c1ccccc1)c1ccc(-c2ccc(P(c3ccccc3)C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H36P2/c1-2-26-34(29-12-6-3-7-13-29)30-22-18-27(19-23-30)28-20-24-33(25-21-28)35(31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-4,6-9,12-15,18-25,32H,2,5,10-11,16-17,26H2,1H3
InChIKeyLRDBAUJIKHEAAN-UHFFFAOYSA-N
MW494.60 g/mol
LogP7.96
Rot. Bonds8

About cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane

cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane (PubChem CID 167282833) has the molecular formula C33H36P2 and a molecular weight of 494.60 g/mol. Its IUPAC name is cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane.

Molecular Properties

Compound Namecyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
PubChem CID167282833
Molecular FormulaC33H36P2
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Namecyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
SMILESCCCP(c1ccccc1)c1ccc(-c2ccc(P(c3ccccc3)C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H36P2/c1-2-26-34(29-12-6-3-7-13-29)30-22-18-27(19-23-30)28-20-24-33(25-21-28)35(31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-4,6-9,12-15,18-25,32H,2,5,10-11,16-17,26H2,1H3
InChIKeyLRDBAUJIKHEAAN-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane?
The IUPAC name of cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane (CID 167282833) is cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane.
What is the SMILES notation for cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane?
The canonical SMILES for cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane is CCCP(c1ccccc1)c1ccc(-c2ccc(P(c3ccccc3)C3CCCCC3)cc2)cc1.
What is the InChIKey of cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane?
The InChIKey is LRDBAUJIKHEAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36P2/c1-2-26-34(29-12-6-3-7-13-29)30-22-18-27(19-23-30)28-20-24-33(25-21-28)35(31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-4,6-9,12-15,18-25,32H,2,5,10-11,16-17,26H2,1H3.
What are the key properties of cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane?
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane has a molecular weight of 494.60 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane is sourced from PubChem (CID 167282833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).