3,4-dibenzhydryloxybenzaldehyde

C33H26O3 — CID 10766747

IUPAC3,4-dibenzhydryloxybenzaldehyde
SMILESO=Cc1ccc(OC(c2ccccc2)c2ccccc2)c(OC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H26O3/c34-24-25-21-22-30(35-32(26-13-5-1-6-14-26)27-15-7-2-8-16-27)31(23-25)36-33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24,32-33H
InChIKeyAEKNNLGLFNAHPJ-UHFFFAOYSA-N
MW470.57 g/mol
LogP7.84
Rot. Bonds9

About 3,4-dibenzhydryloxybenzaldehyde

3,4-dibenzhydryloxybenzaldehyde (PubChem CID 10766747) has the molecular formula C33H26O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 3,4-dibenzhydryloxybenzaldehyde.

Molecular Properties

Compound Name3,4-dibenzhydryloxybenzaldehyde
PubChem CID10766747
Molecular FormulaC33H26O3
Molecular Weight470.57 g/mol
Exact Mass470.19
IUPAC Name3,4-dibenzhydryloxybenzaldehyde
SMILESO=Cc1ccc(OC(c2ccccc2)c2ccccc2)c(OC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H26O3/c34-24-25-21-22-30(35-32(26-13-5-1-6-14-26)27-15-7-2-8-16-27)31(23-25)36-33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24,32-33H
InChIKeyAEKNNLGLFNAHPJ-UHFFFAOYSA-N
XLogP7.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.84
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 3,4-dibenzhydryloxybenzaldehyde?
The IUPAC name of 3,4-dibenzhydryloxybenzaldehyde (CID 10766747) is 3,4-dibenzhydryloxybenzaldehyde.
What is the SMILES notation for 3,4-dibenzhydryloxybenzaldehyde?
The canonical SMILES for 3,4-dibenzhydryloxybenzaldehyde is O=Cc1ccc(OC(c2ccccc2)c2ccccc2)c(OC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3,4-dibenzhydryloxybenzaldehyde?
The InChIKey is AEKNNLGLFNAHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O3/c34-24-25-21-22-30(35-32(26-13-5-1-6-14-26)27-15-7-2-8-16-27)31(23-25)36-33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24,32-33H.
What are the key properties of 3,4-dibenzhydryloxybenzaldehyde?
3,4-dibenzhydryloxybenzaldehyde has a molecular weight of 470.57 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzhydryloxybenzaldehyde is sourced from PubChem (CID 10766747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).