4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde

C29H22O3 — CID 102406735

IUPAC4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
SMILESCOc1ccc(/C(=C(\c2ccccc2)c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C29H22O3/c1-32-27-17-15-26(16-18-27)29(25-13-9-22(20-31)10-14-25)28(23-5-3-2-4-6-23)24-11-7-21(19-30)8-12-24/h2-20H,1H3/b29-28+
InChIKeyYKBRHHOCSQBPAU-ZQHSETAFSA-N
MW418.49 g/mol
LogP6.33
Rot. Bonds7

About 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde

4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde (PubChem CID 102406735) has the molecular formula C29H22O3 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
PubChem CID102406735
Molecular FormulaC29H22O3
Molecular Weight418.49 g/mol
Exact Mass418.16
IUPAC Name4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
SMILESCOc1ccc(/C(=C(\c2ccccc2)c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C29H22O3/c1-32-27-17-15-26(16-18-27)29(25-13-9-22(20-31)10-14-25)28(23-5-3-2-4-6-23)24-11-7-21(19-30)8-12-24/h2-20H,1H3/b29-28+
InChIKeyYKBRHHOCSQBPAU-ZQHSETAFSA-N
XLogP6.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
4-methoxybenzaldehyde;toluene
CID 174462701
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619
4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde
CID 141459269

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde (CID 102406735) is 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde is COc1ccc(/C(=C(\c2ccccc2)c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde?
The InChIKey is YKBRHHOCSQBPAU-ZQHSETAFSA-N. The full InChI is InChI=1S/C29H22O3/c1-32-27-17-15-26(16-18-27)29(25-13-9-22(20-31)10-14-25)28(23-5-3-2-4-6-23)24-11-7-21(19-30)8-12-24/h2-20H,1H3/b29-28+.
What are the key properties of 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde?
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde has a molecular weight of 418.49 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde is sourced from PubChem (CID 102406735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).