2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde

C30H24O3 — CID 11995210

IUPAC2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1cc(Cc2ccccc2C=O)cc(Cc2ccccc2C=O)c1
InChIInChI=1S/C30H24O3/c31-19-28-10-4-1-7-25(28)16-22-13-23(17-26-8-2-5-11-29(26)20-32)15-24(14-22)18-27-9-3-6-12-30(27)21-33/h1-15,19-21H,16-18H2
InChIKeyLNIXCGWZEDSTKK-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.90
Rot. Bonds9

About 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde

2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde (PubChem CID 11995210) has the molecular formula C30H24O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde.

Molecular Properties

Compound Name2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
PubChem CID11995210
Molecular FormulaC30H24O3
Molecular Weight432.52 g/mol
Exact Mass432.17
IUPAC Name2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1cc(Cc2ccccc2C=O)cc(Cc2ccccc2C=O)c1
InChIInChI=1S/C30H24O3/c31-19-28-10-4-1-7-25(28)16-22-13-23(17-26-8-2-5-11-29(26)20-32)15-24(14-22)18-27-9-3-6-12-30(27)21-33/h1-15,19-21H,16-18H2
InChIKeyLNIXCGWZEDSTKK-UHFFFAOYSA-N
XLogP5.90
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde?
The IUPAC name of 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde (CID 11995210) is 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde.
What is the SMILES notation for 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde?
The canonical SMILES for 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde is O=Cc1ccccc1Cc1cc(Cc2ccccc2C=O)cc(Cc2ccccc2C=O)c1.
What is the InChIKey of 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde?
The InChIKey is LNIXCGWZEDSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O3/c31-19-28-10-4-1-7-25(28)16-22-13-23(17-26-8-2-5-11-29(26)20-32)15-24(14-22)18-27-9-3-6-12-30(27)21-33/h1-15,19-21H,16-18H2.
What are the key properties of 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde?
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde has a molecular weight of 432.52 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde is sourced from PubChem (CID 11995210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).