2-bis(2-formylphenyl)phosphanylbenzaldehyde

C21H15O3P — CID 71366450

IUPAC2-bis(2-formylphenyl)phosphanylbenzaldehyde
SMILESO=Cc1ccccc1P(c1ccccc1C=O)c1ccccc1C=O
InChIInChI=1S/C21H15O3P/c22-13-16-7-1-4-10-19(16)25(20-11-5-2-8-17(20)14-23)21-12-6-3-9-18(21)15-24/h1-15H
InChIKeyUYVNSMJGMCPGFL-UHFFFAOYSA-N
MW346.32 g/mol
LogP2.88
Rot. Bonds6

About 2-bis(2-formylphenyl)phosphanylbenzaldehyde

2-bis(2-formylphenyl)phosphanylbenzaldehyde (PubChem CID 71366450) has the molecular formula C21H15O3P and a molecular weight of 346.32 g/mol. Its IUPAC name is 2-bis(2-formylphenyl)phosphanylbenzaldehyde.

Molecular Properties

Compound Name2-bis(2-formylphenyl)phosphanylbenzaldehyde
PubChem CID71366450
Molecular FormulaC21H15O3P
Molecular Weight346.32 g/mol
Exact Mass346.08
IUPAC Name2-bis(2-formylphenyl)phosphanylbenzaldehyde
SMILESO=Cc1ccccc1P(c1ccccc1C=O)c1ccccc1C=O
InChIInChI=1S/C21H15O3P/c22-13-16-7-1-4-10-19(16)25(20-11-5-2-8-17(20)14-23)21-12-6-3-9-18(21)15-24/h1-15H
InChIKeyUYVNSMJGMCPGFL-UHFFFAOYSA-N
XLogP2.88
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bis(2-formylphenyl)phosphanylbenzaldehyde?
The IUPAC name of 2-bis(2-formylphenyl)phosphanylbenzaldehyde (CID 71366450) is 2-bis(2-formylphenyl)phosphanylbenzaldehyde.
What is the SMILES notation for 2-bis(2-formylphenyl)phosphanylbenzaldehyde?
The canonical SMILES for 2-bis(2-formylphenyl)phosphanylbenzaldehyde is O=Cc1ccccc1P(c1ccccc1C=O)c1ccccc1C=O.
What is the InChIKey of 2-bis(2-formylphenyl)phosphanylbenzaldehyde?
The InChIKey is UYVNSMJGMCPGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15O3P/c22-13-16-7-1-4-10-19(16)25(20-11-5-2-8-17(20)14-23)21-12-6-3-9-18(21)15-24/h1-15H.
What are the key properties of 2-bis(2-formylphenyl)phosphanylbenzaldehyde?
2-bis(2-formylphenyl)phosphanylbenzaldehyde has a molecular weight of 346.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-formylphenyl)phosphanylbenzaldehyde is sourced from PubChem (CID 71366450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).