3,4-bis(2-phenylethenyl)phthalaldehyde

C24H18O2 — CID 142521927

IUPAC3,4-bis(2-phenylethenyl)phthalaldehyde
SMILESO=Cc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=O
InChIInChI=1S/C24H18O2/c25-17-22-15-14-21(13-11-19-7-3-1-4-8-19)23(24(22)18-26)16-12-20-9-5-2-6-10-20/h1-18H
InChIKeyKVQQPEKFHIBQEX-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.65
Rot. Bonds6

About 3,4-bis(2-phenylethenyl)phthalaldehyde

3,4-bis(2-phenylethenyl)phthalaldehyde (PubChem CID 142521927) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,4-bis(2-phenylethenyl)phthalaldehyde.

Molecular Properties

Compound Name3,4-bis(2-phenylethenyl)phthalaldehyde
PubChem CID142521927
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name3,4-bis(2-phenylethenyl)phthalaldehyde
SMILESO=Cc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=O
InChIInChI=1S/C24H18O2/c25-17-22-15-14-21(13-11-19-7-3-1-4-8-19)23(24(22)18-26)16-12-20-9-5-2-6-10-20/h1-18H
InChIKeyKVQQPEKFHIBQEX-UHFFFAOYSA-N
XLogP5.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.65
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 3,4-bis(2-phenylethenyl)phthalaldehyde?
The IUPAC name of 3,4-bis(2-phenylethenyl)phthalaldehyde (CID 142521927) is 3,4-bis(2-phenylethenyl)phthalaldehyde.
What is the SMILES notation for 3,4-bis(2-phenylethenyl)phthalaldehyde?
The canonical SMILES for 3,4-bis(2-phenylethenyl)phthalaldehyde is O=Cc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=O.
What is the InChIKey of 3,4-bis(2-phenylethenyl)phthalaldehyde?
The InChIKey is KVQQPEKFHIBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c25-17-22-15-14-21(13-11-19-7-3-1-4-8-19)23(24(22)18-26)16-12-20-9-5-2-6-10-20/h1-18H.
What are the key properties of 3,4-bis(2-phenylethenyl)phthalaldehyde?
3,4-bis(2-phenylethenyl)phthalaldehyde has a molecular weight of 338.41 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-phenylethenyl)phthalaldehyde is sourced from PubChem (CID 142521927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).