tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane

C48H90P4 — CID 90108272

IUPACtris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane
SMILESPC(CCCP(CCCC(P)(C1CCCCC1)C1CCCCC1)CCCC(P)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C48H90P4/c49-46(40-22-7-1-8-23-40,41-24-9-2-10-25-41)34-19-37-52(38-20-35-47(50,42-26-11-3-12-27-42)43-28-13-4-14-29-43)39-21-36-48(51,44-30-15-5-16-31-44)45-32-17-6-18-33-45/h40-45H,1-39,49-51H2
InChIKeyYXCFFCNCYKZBMD-UHFFFAOYSA-N
MW791.14 g/mol
LogP16.13
Rot. Bonds18

About tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane

tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane (PubChem CID 90108272) has the molecular formula C48H90P4 and a molecular weight of 791.14 g/mol. Its IUPAC name is tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane.

Molecular Properties

Compound Nametris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane
PubChem CID90108272
Molecular FormulaC48H90P4
Molecular Weight791.14 g/mol
Exact Mass790.60
IUPAC Nametris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane
SMILESPC(CCCP(CCCC(P)(C1CCCCC1)C1CCCCC1)CCCC(P)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C48H90P4/c49-46(40-22-7-1-8-23-40,41-24-9-2-10-25-41)34-19-37-52(38-20-35-47(50,42-26-11-3-12-27-42)43-28-13-4-14-29-43)39-21-36-48(51,44-30-15-5-16-31-44)45-32-17-6-18-33-45/h40-45H,1-39,49-51H2
InChIKeyYXCFFCNCYKZBMD-UHFFFAOYSA-N
XLogP16.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.14
LogP ≤ 516.13
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

[1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane
CID 90110064
1,1-dicyclopentylpropylphosphane
CID 66992387
(3,3-dicyclohexyl-3-phosphanylpropyl)phosphonic acid ditetrafluoroborate
CID 175212468
3-cyclohexylnonan-3-ylphosphane
CID 174798619
tricyclohexylmethylsilane
CID 71348621
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
(2-cyclohexyl-2-methyl-3-phosphanylpropyl)phosphane
CID 58351246
1,1-dicyclohexylpentane-1,5-diol
CID 22179017
CID 154067932
CID 154067932
CID 154067931
CID 154067931
(4-cyclohexyl-2,3,3,4-tetramethylpentan-2-yl)cyclohexane
CID 20659537
3,3-dichloro-3-cyclohexylpropan-1-ol
CID 70420396

Frequently Asked Questions

What is the IUPAC name of tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane?
The IUPAC name of tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane (CID 90108272) is tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane.
What is the SMILES notation for tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane?
The canonical SMILES for tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane is PC(CCCP(CCCC(P)(C1CCCCC1)C1CCCCC1)CCCC(P)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane?
The InChIKey is YXCFFCNCYKZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H90P4/c49-46(40-22-7-1-8-23-40,41-24-9-2-10-25-41)34-19-37-52(38-20-35-47(50,42-26-11-3-12-27-42)43-28-13-4-14-29-43)39-21-36-48(51,44-30-15-5-16-31-44)45-32-17-6-18-33-45/h40-45H,1-39,49-51H2.
What are the key properties of tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane?
tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane has a molecular weight of 791.14 g/mol, XLogP of 16.13, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane is sourced from PubChem (CID 90108272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).