dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane

C32H54P2S — CID 170552426

IUPACdicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane
SMILESCCCCc1sc(CCCC)c(P(C2CCCC2)C2CCCC2)c1P(C1CCCC1)C1CCCC1
InChIInChI=1S/C32H54P2S/c1-3-5-23-29-31(33(25-15-7-8-16-25)26-17-9-10-18-26)32(30(35-29)24-6-4-2)34(27-19-11-12-20-27)28-21-13-14-22-28/h25-28H,3-24H2,1-2H3
InChIKeyFNRDOKOLXRDJDZ-UHFFFAOYSA-N
MW532.80 g/mol
LogP10.42
Rot. Bonds12

About dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane

dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane (PubChem CID 170552426) has the molecular formula C32H54P2S and a molecular weight of 532.80 g/mol. Its IUPAC name is dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane.

Molecular Properties

Compound Namedicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane
PubChem CID170552426
Molecular FormulaC32H54P2S
Molecular Weight532.80 g/mol
Exact Mass532.34
IUPAC Namedicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane
SMILESCCCCc1sc(CCCC)c(P(C2CCCC2)C2CCCC2)c1P(C1CCCC1)C1CCCC1
InChIInChI=1S/C32H54P2S/c1-3-5-23-29-31(33(25-15-7-8-16-25)26-17-9-10-18-26)32(30(35-29)24-6-4-2)34(27-19-11-12-20-27)28-21-13-14-22-28/h25-28H,3-24H2,1-2H3
InChIKeyFNRDOKOLXRDJDZ-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.80
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dibutyl-4-dipropylphosphanylthiophen-3-yl)-dipropylphosphane
CID 170552528
dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane
CID 170552424
butyl-cyclopentyl-methylphosphane
CID 155308845
butyl-(4-butylphenyl)-cyclohexylphosphane
CID 90108385
cyclohexyl(diheptyl)phosphane
CID 118892787
dicyclopentyl-(2-ethylthiophen-3-yl)phosphane
CID 175479011
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
1,1-dicyclopentyl-N-pentylmethanimine
CID 21412176
cyclohexyl-ethyl-octylphosphane
CID 90109221
cyclopentyl-octyl-propan-2-ylphosphane
CID 57115413

Frequently Asked Questions

What is the IUPAC name of dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane?
The IUPAC name of dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane (CID 170552426) is dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane.
What is the SMILES notation for dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane?
The canonical SMILES for dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane is CCCCc1sc(CCCC)c(P(C2CCCC2)C2CCCC2)c1P(C1CCCC1)C1CCCC1.
What is the InChIKey of dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane?
The InChIKey is FNRDOKOLXRDJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54P2S/c1-3-5-23-29-31(33(25-15-7-8-16-25)26-17-9-10-18-26)32(30(35-29)24-6-4-2)34(27-19-11-12-20-27)28-21-13-14-22-28/h25-28H,3-24H2,1-2H3.
What are the key properties of dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane?
dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane has a molecular weight of 532.80 g/mol, XLogP of 10.42, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane is sourced from PubChem (CID 170552426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).