2-(1,2-diphenylethenyl)benzaldehyde

C21H16O — CID 87999369

IUPAC2-(1,2-diphenylethenyl)benzaldehyde
SMILESO=Cc1ccccc1C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O/c22-16-19-13-7-8-14-20(19)21(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H
InChIKeyPIFBXDGCEWCBDL-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.09
Rot. Bonds4

About 2-(1,2-diphenylethenyl)benzaldehyde

2-(1,2-diphenylethenyl)benzaldehyde (PubChem CID 87999369) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1,2-diphenylethenyl)benzaldehyde.

Molecular Properties

Compound Name2-(1,2-diphenylethenyl)benzaldehyde
PubChem CID87999369
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name2-(1,2-diphenylethenyl)benzaldehyde
SMILESO=Cc1ccccc1C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O/c22-16-19-13-7-8-14-20(19)21(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H
InChIKeyPIFBXDGCEWCBDL-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
CID 173126547
CID 173126547
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319
CID 172843956
CID 172843956
[4-(2,2-diphenylethenyl)phenyl]-(2-hydroxyphenyl)methanone
CID 67415935
[2-[(E)-1,2-diphenylethenyl]phenyl]-diphenylphosphane
CID 132966210
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
2-[2-[(E)-1,2-diphenylethenyl]phenyl]propan-2-amine
CID 102527150
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
2,3-dibenzoylbenzaldehyde
CID 54496315
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenylethenyl)benzaldehyde?
The IUPAC name of 2-(1,2-diphenylethenyl)benzaldehyde (CID 87999369) is 2-(1,2-diphenylethenyl)benzaldehyde.
What is the SMILES notation for 2-(1,2-diphenylethenyl)benzaldehyde?
The canonical SMILES for 2-(1,2-diphenylethenyl)benzaldehyde is O=Cc1ccccc1C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,2-diphenylethenyl)benzaldehyde?
The InChIKey is PIFBXDGCEWCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c22-16-19-13-7-8-14-20(19)21(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H.
What are the key properties of 2-(1,2-diphenylethenyl)benzaldehyde?
2-(1,2-diphenylethenyl)benzaldehyde has a molecular weight of 284.36 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenylethenyl)benzaldehyde is sourced from PubChem (CID 87999369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).