bis(2-diphenylphosphanylphenyl)methanol

C37H29OP2- — CID 139052412

IUPACbis(2-diphenylphosphanylphenyl)methanol
SMILESO[C-](c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H29OP2/c38-37(33-25-13-15-27-35(33)39(29-17-5-1-6-18-29)30-19-7-2-8-20-30)34-26-14-16-28-36(34)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,38H/q-1
InChIKeyUICHUZZYFGKTJI-UHFFFAOYSA-N
MW551.59 g/mol
LogP6.50
Rot. Bonds8

About bis(2-diphenylphosphanylphenyl)methanol

bis(2-diphenylphosphanylphenyl)methanol (PubChem CID 139052412) has the molecular formula C37H29OP2- and a molecular weight of 551.59 g/mol. Its IUPAC name is bis(2-diphenylphosphanylphenyl)methanol.

Molecular Properties

Compound Namebis(2-diphenylphosphanylphenyl)methanol
PubChem CID139052412
Molecular FormulaC37H29OP2-
Molecular Weight551.59 g/mol
Exact Mass551.17
IUPAC Namebis(2-diphenylphosphanylphenyl)methanol
SMILESO[C-](c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H29OP2/c38-37(33-25-13-15-27-35(33)39(29-17-5-1-6-18-29)30-19-7-2-8-20-30)34-26-14-16-28-36(34)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,38H/q-1
InChIKeyUICHUZZYFGKTJI-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.59
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(2-diphenylphosphanylphenyl)methanol 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
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
copper(1+);triphenylphosphane;bromide
CID 87491658
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
triphenylphosphane
CID 139056248
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
(S)-amino-(2-diphenylphosphanylphenyl)methanol
CID 98228975
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409

Frequently Asked Questions

What is the IUPAC name of bis(2-diphenylphosphanylphenyl)methanol?
The IUPAC name of bis(2-diphenylphosphanylphenyl)methanol (CID 139052412) is bis(2-diphenylphosphanylphenyl)methanol.
What is the SMILES notation for bis(2-diphenylphosphanylphenyl)methanol?
The canonical SMILES for bis(2-diphenylphosphanylphenyl)methanol is O[C-](c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-diphenylphosphanylphenyl)methanol?
The InChIKey is UICHUZZYFGKTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29OP2/c38-37(33-25-13-15-27-35(33)39(29-17-5-1-6-18-29)30-19-7-2-8-20-30)34-26-14-16-28-36(34)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,38H/q-1.
What are the key properties of bis(2-diphenylphosphanylphenyl)methanol?
bis(2-diphenylphosphanylphenyl)methanol has a molecular weight of 551.59 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphanylphenyl)methanol is sourced from PubChem (CID 139052412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).