dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane

C34H58P2S — CID 170552424

IUPACdicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane
SMILESCC(C)c1sc(C(C)C)c(P(C2CCCCC2)C2CCCCC2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H58P2S/c1-25(2)33-31(35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(34(37-33)26(3)4)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h25-30H,5-24H2,1-4H3
InChIKeyPERYFQROYNQYSE-UHFFFAOYSA-N
MW560.85 g/mol
LogP11.54
Rot. Bonds8

About dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane

dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane (PubChem CID 170552424) has the molecular formula C34H58P2S and a molecular weight of 560.85 g/mol. Its IUPAC name is dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane
PubChem CID170552424
Molecular FormulaC34H58P2S
Molecular Weight560.85 g/mol
Exact Mass560.37
IUPAC Namedicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane
SMILESCC(C)c1sc(C(C)C)c(P(C2CCCCC2)C2CCCCC2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H58P2S/c1-25(2)33-31(35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(34(37-33)26(3)4)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h25-30H,5-24H2,1-4H3
InChIKeyPERYFQROYNQYSE-UHFFFAOYSA-N
XLogP11.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.85
LogP ≤ 511.54
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

dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane
CID 170552426
[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane
CID 175808760
[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
CID 75412135
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 162418915
dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 70670127
dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 134942525
CID 10167731
CID 10167731
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
CID 20606205
tri(cyclododecyl)phosphane
CID 19065577
tri(cyclooctyl)phosphane
CID 12970661
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
CID 121225630

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane?
The IUPAC name of dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane (CID 170552424) is dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane?
The canonical SMILES for dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane is CC(C)c1sc(C(C)C)c(P(C2CCCCC2)C2CCCCC2)c1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane?
The InChIKey is PERYFQROYNQYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58P2S/c1-25(2)33-31(35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(34(37-33)26(3)4)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h25-30H,5-24H2,1-4H3.
What are the key properties of dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane?
dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane has a molecular weight of 560.85 g/mol, XLogP of 11.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane is sourced from PubChem (CID 170552424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).