[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone

C35H28O3 — CID 134955229

IUPAC[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(C(=O)c3ccccc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C35H28O3/c1-37-31-21-17-27(18-22-31)34(28-19-23-32(38-2)24-20-28)33(25-9-5-3-6-10-25)26-13-15-30(16-14-26)35(36)29-11-7-4-8-12-29/h3-24H,1-2H3
InChIKeyHYRGSQUZLPIMEX-UHFFFAOYSA-N
MW496.61 g/mol
LogP7.94
Rot. Bonds8

About [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone (PubChem CID 134955229) has the molecular formula C35H28O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
PubChem CID134955229
Molecular FormulaC35H28O3
Molecular Weight496.61 g/mol
Exact Mass496.20
IUPAC Name[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(C(=O)c3ccccc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C35H28O3/c1-37-31-21-17-27(18-22-31)34(28-19-23-32(38-2)24-20-28)33(25-9-5-3-6-10-25)26-13-15-30(16-14-26)35(36)29-11-7-4-8-12-29/h3-24H,1-2H3
InChIKeyHYRGSQUZLPIMEX-UHFFFAOYSA-N
XLogP7.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682

Frequently Asked Questions

What is the IUPAC name of [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone (CID 134955229) is [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone is COc1ccc(C(=C(c2ccccc2)c2ccc(C(=O)c3ccccc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone?
The InChIKey is HYRGSQUZLPIMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O3/c1-37-31-21-17-27(18-22-31)34(28-19-23-32(38-2)24-20-28)33(25-9-5-3-6-10-25)26-13-15-30(16-14-26)35(36)29-11-7-4-8-12-29/h3-24H,1-2H3.
What are the key properties of [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone?
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone has a molecular weight of 496.61 g/mol, XLogP of 7.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 134955229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).