bis(diphenylphosphanylmethyl)-diphenylboranuide

C38H34BP2- — CID 11204974

IUPACbis(diphenylphosphanylmethyl)-diphenylboranuide
SMILESc1ccc(P(C[B-](CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34BP2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,31-40(35-23-11-3-12-24-35)36-25-13-4-14-26-36)32-41(37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H,31-32H2/q-1
InChIKeyDVAXVYXJAFEBPI-UHFFFAOYSA-N
MW563.45 g/mol
LogP6.59
Rot. Bonds10

About bis(diphenylphosphanylmethyl)-diphenylboranuide

bis(diphenylphosphanylmethyl)-diphenylboranuide (PubChem CID 11204974) has the molecular formula C38H34BP2- and a molecular weight of 563.45 g/mol. Its IUPAC name is bis(diphenylphosphanylmethyl)-diphenylboranuide.

Molecular Properties

Compound Namebis(diphenylphosphanylmethyl)-diphenylboranuide
PubChem CID11204974
Molecular FormulaC38H34BP2-
Molecular Weight563.45 g/mol
Exact Mass563.22
IUPAC Namebis(diphenylphosphanylmethyl)-diphenylboranuide
SMILESc1ccc(P(C[B-](CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34BP2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,31-40(35-23-11-3-12-24-35)36-25-13-4-14-26-36)32-41(37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H,31-32H2/q-1
InChIKeyDVAXVYXJAFEBPI-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.45
LogP ≤ 56.59
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 bis(diphenylphosphanylmethyl)-diphenylboranuide 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

acetonitrile;rhodium;tris(diphenylphosphanylmethyl)-phenylboranuide
CID 51050604
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
diphenylphosphanylmethanethiol
CID 11230015
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
CID 136690961
CID 136690961
ethyl-phenyl-(4-phenylphenyl)phosphane
CID 21301209
chromium;ethyl(diphenyl)phosphane
CID 152678584
tris(diphenylphosphanylmethyl)azanium
CID 132563502
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
CID 71678326

Frequently Asked Questions

What is the IUPAC name of bis(diphenylphosphanylmethyl)-diphenylboranuide?
The IUPAC name of bis(diphenylphosphanylmethyl)-diphenylboranuide (CID 11204974) is bis(diphenylphosphanylmethyl)-diphenylboranuide.
What is the SMILES notation for bis(diphenylphosphanylmethyl)-diphenylboranuide?
The canonical SMILES for bis(diphenylphosphanylmethyl)-diphenylboranuide is c1ccc(P(C[B-](CP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(diphenylphosphanylmethyl)-diphenylboranuide?
The InChIKey is DVAXVYXJAFEBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34BP2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,31-40(35-23-11-3-12-24-35)36-25-13-4-14-26-36)32-41(37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H,31-32H2/q-1.
What are the key properties of bis(diphenylphosphanylmethyl)-diphenylboranuide?
bis(diphenylphosphanylmethyl)-diphenylboranuide has a molecular weight of 563.45 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphanylmethyl)-diphenylboranuide is sourced from PubChem (CID 11204974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).