4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde

C30H22O2 — CID 86211180

IUPAC4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(-c3ccccc3)cc2C=Cc2ccc(C=O)cc2)cc1
InChIInChI=1S/C30H22O2/c31-21-25-10-6-23(7-11-25)14-16-28-18-19-30(27-4-2-1-3-5-27)20-29(28)17-15-24-8-12-26(22-32)13-9-24/h1-22H
InChIKeyONKLAQSIOPALJH-UHFFFAOYSA-N
MW414.50 g/mol
LogP7.32
Rot. Bonds7

About 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde

4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde (PubChem CID 86211180) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde
PubChem CID86211180
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(-c3ccccc3)cc2C=Cc2ccc(C=O)cc2)cc1
InChIInChI=1S/C30H22O2/c31-21-25-10-6-23(7-11-25)14-16-28-18-19-30(27-4-2-1-3-5-27)20-29(28)17-15-24-8-12-26(22-32)13-9-24/h1-22H
InChIKeyONKLAQSIOPALJH-UHFFFAOYSA-N
XLogP7.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde?
The IUPAC name of 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde (CID 86211180) is 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde?
The canonical SMILES for 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde is O=Cc1ccc(C=Cc2ccc(-c3ccccc3)cc2C=Cc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde?
The InChIKey is ONKLAQSIOPALJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c31-21-25-10-6-23(7-11-25)14-16-28-18-19-30(27-4-2-1-3-5-27)20-29(28)17-15-24-8-12-26(22-32)13-9-24/h1-22H.
What are the key properties of 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde?
4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde has a molecular weight of 414.50 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(4-formylphenyl)ethenyl]-4-phenylphenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 86211180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).