1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene

C26H22 — CID 10592855

IUPAC1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene
SMILESCc1ccc(C=C=Cc2ccc(C=C=Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H22/c1-21-9-13-23(14-10-21)5-3-7-25-17-19-26(20-18-25)8-4-6-24-15-11-22(2)12-16-24/h5-20H,1-2H3
InChIKeyALVVYDCWJIXRER-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.95
Rot. Bonds4

About 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene

1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene (PubChem CID 10592855) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene.

Molecular Properties

Compound Name1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene
PubChem CID10592855
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene
SMILESCc1ccc(C=C=Cc2ccc(C=C=Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H22/c1-21-9-13-23(14-10-21)5-3-7-25-17-19-26(20-18-25)8-4-6-24-15-11-22(2)12-16-24/h5-20H,1-2H3
InChIKeyALVVYDCWJIXRER-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene?
The IUPAC name of 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene (CID 10592855) is 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene.
What is the SMILES notation for 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene?
The canonical SMILES for 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene is Cc1ccc(C=C=Cc2ccc(C=C=Cc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene?
The InChIKey is ALVVYDCWJIXRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-21-9-13-23(14-10-21)5-3-7-25-17-19-26(20-18-25)8-4-6-24-15-11-22(2)12-16-24/h5-20H,1-2H3.
What are the key properties of 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene?
1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene has a molecular weight of 334.46 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene is sourced from PubChem (CID 10592855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).