[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane

C26H28BP — CID 122389863

IUPAC[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2B2C3CCCC2CCC3)cc1
InChIInChI=1S/C26H28BP/c1-3-15-23(16-4-1)28(24-17-5-2-6-18-24)26-20-8-7-19-25(26)27-21-11-9-12-22(27)14-10-13-21/h1-8,15-22H,9-14H2
InChIKeyOOQYVRUTIWVFIG-UHFFFAOYSA-N
MW382.30 g/mol
LogP5.25
Rot. Bonds4

About [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane

[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane (PubChem CID 122389863) has the molecular formula C26H28BP and a molecular weight of 382.30 g/mol. Its IUPAC name is [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane
PubChem CID122389863
Molecular FormulaC26H28BP
Molecular Weight382.30 g/mol
Exact Mass382.20
IUPAC Name[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2B2C3CCCC2CCC3)cc1
InChIInChI=1S/C26H28BP/c1-3-15-23(16-4-1)28(24-17-5-2-6-18-24)26-20-8-7-19-25(26)27-21-11-9-12-22(27)14-10-13-21/h1-8,15-22H,9-14H2
InChIKeyOOQYVRUTIWVFIG-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.30
LogP ≤ 55.25
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 [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane with MolForge

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

Launch Full Analysis

Related Compounds

(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane
CID 89375914
[2-[(1S,2R)-2-diphenylphosphanylcyclopentyl]phenyl]-diphenylphosphane
CID 101125838
plutonium;triphenylphosphane
CID 161300359
(R)-cyclopentyl-(2-diphenylphosphanylphenyl)methanol
CID 58606850
3-(9-borabicyclo[3.3.1]nonan-9-yl)-1-methylindole
CID 135041127
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064
[2-(2,6-dimethylmorpholin-4-yl)phenyl]-diphenylphosphane
CID 145030339
N-cyclohexyl-1-(2-diphenylphosphanylphenyl)methanimine
CID 11280187
triphenylphosphane
CID 139056248
[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane
CID 90267040

Frequently Asked Questions

What is the IUPAC name of [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane (CID 122389863) is [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2B2C3CCCC2CCC3)cc1.
What is the InChIKey of [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane?
The InChIKey is OOQYVRUTIWVFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BP/c1-3-15-23(16-4-1)28(24-17-5-2-6-18-24)26-20-8-7-19-25(26)27-21-11-9-12-22(27)14-10-13-21/h1-8,15-22H,9-14H2.
What are the key properties of [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane?
[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane has a molecular weight of 382.30 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 122389863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).