dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane

C36H67P3 — CID 90108196

IUPACdicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
SMILESC1CCC(P(CCCP(C2CCCCC2)C2CCCCC2)CCCP(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C36H67P3/c1-6-18-32(19-7-1)37(28-16-30-38(33-20-8-2-9-21-33)34-22-10-3-11-23-34)29-17-31-39(35-24-12-4-13-25-35)36-26-14-5-15-27-36/h32-36H,1-31H2
InChIKeyPCNXDMVPIKPJQF-UHFFFAOYSA-N
MW592.85 g/mol
LogP12.88
Rot. Bonds13

About dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane

dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane (PubChem CID 90108196) has the molecular formula C36H67P3 and a molecular weight of 592.85 g/mol. Its IUPAC name is dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
PubChem CID90108196
Molecular FormulaC36H67P3
Molecular Weight592.85 g/mol
Exact Mass592.45
IUPAC Namedicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
SMILESC1CCC(P(CCCP(C2CCCCC2)C2CCCCC2)CCCP(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C36H67P3/c1-6-18-32(19-7-1)37(28-16-30-38(33-20-8-2-9-21-33)34-22-10-3-11-23-34)29-17-31-39(35-24-12-4-13-25-35)36-26-14-5-15-27-36/h32-36H,1-31H2
InChIKeyPCNXDMVPIKPJQF-UHFFFAOYSA-N
XLogP12.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.85
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-dicyclohexylphosphanylpropan-1-amine
CID 68903820
cyclohexyl(diheptyl)phosphane
CID 118892787
2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine
CID 155183831
dicyclohexyl(6-phosphanylhexyl)phosphane
CID 151871346
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
2-dicyclohexylphosphanylethanol
CID 154117829
2-dicyclohexylphosphanylethanamine
CID 77068327
dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane
CID 101105057
cyclopentyl(dipropyl)phosphane
CID 14322919
cyclohexyl-ethyl-octylphosphane
CID 90109221
di(cyclobutyl)-octylphosphane
CID 151646814
2-[cyclohexyl-[2-(trimethylazaniumyl)ethyl]phosphanyl]ethyl-trimethylazanium dichloride
CID 155665551

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane?
The IUPAC name of dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane (CID 90108196) is dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane.
What is the SMILES notation for dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane?
The canonical SMILES for dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane is C1CCC(P(CCCP(C2CCCCC2)C2CCCCC2)CCCP(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane?
The InChIKey is PCNXDMVPIKPJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67P3/c1-6-18-32(19-7-1)37(28-16-30-38(33-20-8-2-9-21-33)34-22-10-3-11-23-34)29-17-31-39(35-24-12-4-13-25-35)36-26-14-5-15-27-36/h32-36H,1-31H2.
What are the key properties of dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane?
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane has a molecular weight of 592.85 g/mol, XLogP of 12.88, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane is sourced from PubChem (CID 90108196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).