bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane

C40H42F12P2 — CID 90921653

IUPACbis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane
SMILESFC(F)(F)c1cc(P(CC2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C40H42F12P2/c41-37(42,43)26-18-27(38(44,45)46)21-32(20-26)53(33-22-28(39(47,48)49)19-29(23-33)40(50,51)52)24-25-10-9-16-34(25)35-15-7-8-17-36(35)54(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h7-8,15,17-23,25,30-31,34H,1-6,9-14,16,24H2
InChIKeyIOQCMNNGHHBRRB-UHFFFAOYSA-N
MW812.70 g/mol
LogP13.55
Rot. Bonds8

About bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane

bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane (PubChem CID 90921653) has the molecular formula C40H42F12P2 and a molecular weight of 812.70 g/mol. Its IUPAC name is bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane.

Molecular Properties

Compound Namebis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane
PubChem CID90921653
Molecular FormulaC40H42F12P2
Molecular Weight812.70 g/mol
Exact Mass812.26
IUPAC Namebis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane
SMILESFC(F)(F)c1cc(P(CC2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C40H42F12P2/c41-37(42,43)26-18-27(38(44,45)46)21-32(20-26)53(33-22-28(39(47,48)49)19-29(23-33)40(50,51)52)24-25-10-9-16-34(25)35-15-7-8-17-36(35)54(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h7-8,15,17-23,25,30-31,34H,1-6,9-14,16,24H2
InChIKeyIOQCMNNGHHBRRB-UHFFFAOYSA-N
XLogP13.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.70
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane?
The IUPAC name of bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane (CID 90921653) is bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane.
What is the SMILES notation for bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane?
The canonical SMILES for bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane is FC(F)(F)c1cc(P(CC2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane?
The InChIKey is IOQCMNNGHHBRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42F12P2/c41-37(42,43)26-18-27(38(44,45)46)21-32(20-26)53(33-22-28(39(47,48)49)19-29(23-33)40(50,51)52)24-25-10-9-16-34(25)35-15-7-8-17-36(35)54(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h7-8,15,17-23,25,30-31,34H,1-6,9-14,16,24H2.
What are the key properties of bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane?
bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane has a molecular weight of 812.70 g/mol, XLogP of 13.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane is sourced from PubChem (CID 90921653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).