boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane

C36H30BO3P — CID 159748341

IUPACboric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane
SMILESOB(O)O.c1ccc(-c2ccc(P(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H27P.BH3O3/c1-6-16-28(17-7-1)33-26-27-34(37(31-22-12-4-13-23-31)32-24-14-5-15-25-32)36(30-20-10-3-11-21-30)35(33)29-18-8-2-9-19-29;2-1(3)4/h1-27H;2-4H
InChIKeyNDIIVIGAIGSBON-UHFFFAOYSA-N
MW552.42 g/mol
LogP6.39
Rot. Bonds6

About boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane

boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane (PubChem CID 159748341) has the molecular formula C36H30BO3P and a molecular weight of 552.42 g/mol. Its IUPAC name is boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane.

Molecular Properties

Compound Nameboric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane
PubChem CID159748341
Molecular FormulaC36H30BO3P
Molecular Weight552.42 g/mol
Exact Mass552.20
IUPAC Nameboric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane
SMILESOB(O)O.c1ccc(-c2ccc(P(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H27P.BH3O3/c1-6-16-28(17-7-1)33-26-27-34(37(31-22-12-4-13-23-31)32-24-14-5-15-25-32)36(30-20-10-3-11-21-30)35(33)29-18-8-2-9-19-29;2-1(3)4/h1-27H;2-4H
InChIKeyNDIIVIGAIGSBON-UHFFFAOYSA-N
XLogP6.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.42
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane 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

bromo-(2,3,4-triphenylphenyl)phosphinous acid
CID 142735464
boric acid;triphenylphosphane
CID 173323232
azane;(2,3,4-triphenylphenyl)methoxyboronic acid
CID 67925015
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165
[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164886915
hydroxy-(2,3,4-triphenylphenyl)phosphanium bromide
CID 159320906
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
boric acid;tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene);tris(triphenylphosphane)
CID 172844623
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
(7,12-diphenylbenzo[k]fluoranthen-3-yl)-phenyl-(2-phenylphenyl)phosphane
CID 144896315
[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-phenyl-(2-phenylphenyl)phosphane
CID 144896528

Frequently Asked Questions

What is the IUPAC name of boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane?
The IUPAC name of boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane (CID 159748341) is boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane.
What is the SMILES notation for boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane?
The canonical SMILES for boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane is OB(O)O.c1ccc(-c2ccc(P(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane?
The InChIKey is NDIIVIGAIGSBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27P.BH3O3/c1-6-16-28(17-7-1)33-26-27-34(37(31-22-12-4-13-23-31)32-24-14-5-15-25-32)36(30-20-10-3-11-21-30)35(33)29-18-8-2-9-19-29;2-1(3)4/h1-27H;2-4H.
What are the key properties of boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane?
boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane has a molecular weight of 552.42 g/mol, XLogP of 6.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane is sourced from PubChem (CID 159748341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).