dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane

C49H70BP3 — CID 160895247

IUPACdicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane
SMILESCP(c1ccccc1B(c1ccccc1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C49H70BP3/c1-51(39-23-7-2-8-24-39)47-36-20-17-33-44(47)50(45-34-18-21-37-48(45)52(40-25-9-3-10-26-40)41-27-11-4-12-28-41)46-35-19-22-38-49(46)53(42-29-13-5-14-30-42)43-31-15-6-16-32-43/h17-22,33-43H,2-16,23-32H2,1H3
InChIKeyIKRVTLOIZFJTLA-UHFFFAOYSA-N
MW762.83 g/mol
LogP11.82
Rot. Bonds11

About dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane

dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane (PubChem CID 160895247) has the molecular formula C49H70BP3 and a molecular weight of 762.83 g/mol. Its IUPAC name is dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane
PubChem CID160895247
Molecular FormulaC49H70BP3
Molecular Weight762.83 g/mol
Exact Mass762.48
IUPAC Namedicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane
SMILESCP(c1ccccc1B(c1ccccc1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C49H70BP3/c1-51(39-23-7-2-8-24-39)47-36-20-17-33-44(47)50(45-34-18-21-37-48(45)52(40-25-9-3-10-26-40)41-27-11-4-12-28-41)46-35-19-22-38-49(46)53(42-29-13-5-14-30-42)43-31-15-6-16-32-43/h17-22,33-43H,2-16,23-32H2,1H3
InChIKeyIKRVTLOIZFJTLA-UHFFFAOYSA-N
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.83
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane with MolForge

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Related Compounds

dicyclohexyl-[2-[(2-dicyclohexylphosphanylphenyl)-phenylboranyl]phenyl]phosphane
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acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium
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CID 69466165
CID 69466165
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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane (CID 160895247) is dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane is CP(c1ccccc1B(c1ccccc1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane?
The InChIKey is IKRVTLOIZFJTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H70BP3/c1-51(39-23-7-2-8-24-39)47-36-20-17-33-44(47)50(45-34-18-21-37-48(45)52(40-25-9-3-10-26-40)41-27-11-4-12-28-41)46-35-19-22-38-49(46)53(42-29-13-5-14-30-42)43-31-15-6-16-32-43/h17-22,33-43H,2-16,23-32H2,1H3.
What are the key properties of dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane?
dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane has a molecular weight of 762.83 g/mol, XLogP of 11.82, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-[[2-[cyclohexyl(methyl)phosphanyl]phenyl]-(2-dicyclohexylphosphanylphenyl)boranyl]phenyl]phosphane is sourced from PubChem (CID 160895247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).