1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene

C48H44 — CID 158666268

IUPAC1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(C=Cc2ccc(C=Cc3ccc(C)cc3)cc2)cc1.Cc1cccc(C=Cc2ccc(C=Cc3cccc(C)c3)cc2)c1
InChIInChI=1S/2C24H22/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)15-13-21-9-11-22(12-10-21)14-16-24-8-4-6-20(2)18-24/h2*3-18H,1-2H3
InChIKeyIDJUZFNGXDLFGW-UHFFFAOYSA-N
MW620.88 g/mol
LogP13.29
Rot. Bonds8

About 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene

1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene (PubChem CID 158666268) has the molecular formula C48H44 and a molecular weight of 620.88 g/mol. Its IUPAC name is 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
PubChem CID158666268
Molecular FormulaC48H44
Molecular Weight620.88 g/mol
Exact Mass620.34
IUPAC Name1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(C=Cc2ccc(C=Cc3ccc(C)cc3)cc2)cc1.Cc1cccc(C=Cc2ccc(C=Cc3cccc(C)c3)cc2)c1
InChIInChI=1S/2C24H22/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)15-13-21-9-11-22(12-10-21)14-16-24-8-4-6-20(2)18-24/h2*3-18H,1-2H3
InChIKeyIDJUZFNGXDLFGW-UHFFFAOYSA-N
XLogP13.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.88
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 58915425
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene (CID 158666268) is 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene is Cc1ccc(C=Cc2ccc(C=Cc3ccc(C)cc3)cc2)cc1.Cc1cccc(C=Cc2ccc(C=Cc3cccc(C)c3)cc2)c1.
What is the InChIKey of 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is IDJUZFNGXDLFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)15-13-21-9-11-22(12-10-21)14-16-24-8-4-6-20(2)18-24/h2*3-18H,1-2H3.
What are the key properties of 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene?
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 620.88 g/mol, XLogP of 13.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 158666268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).