1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene

C32H34 — CID 141161555

IUPAC1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene
SMILESCC1(C)C=CC=CC1C=Cc1ccc(-c2ccc(C=CC3C=CC=CC3(C)C)cc2)cc1
InChIInChI=1S/C32H34/c1-31(2)23-7-5-9-29(31)21-15-25-11-17-27(18-12-25)28-19-13-26(14-20-28)16-22-30-10-6-8-24-32(30,3)4/h5-24,29-30H,1-4H3
InChIKeyREXKAVKYCZCDPR-UHFFFAOYSA-N
MW418.62 g/mol
LogP8.92
Rot. Bonds5

About 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene

1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene (PubChem CID 141161555) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene.

Molecular Properties

Compound Name1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene
PubChem CID141161555
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene
SMILESCC1(C)C=CC=CC1C=Cc1ccc(-c2ccc(C=CC3C=CC=CC3(C)C)cc2)cc1
InChIInChI=1S/C32H34/c1-31(2)23-7-5-9-29(31)21-15-25-11-17-27(18-12-25)28-19-13-26(14-20-28)16-22-30-10-6-8-24-32(30,3)4/h5-24,29-30H,1-4H3
InChIKeyREXKAVKYCZCDPR-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene?
The IUPAC name of 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene (CID 141161555) is 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene.
What is the SMILES notation for 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene?
The canonical SMILES for 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene is CC1(C)C=CC=CC1C=Cc1ccc(-c2ccc(C=CC3C=CC=CC3(C)C)cc2)cc1.
What is the InChIKey of 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene?
The InChIKey is REXKAVKYCZCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34/c1-31(2)23-7-5-9-29(31)21-15-25-11-17-27(18-12-25)28-19-13-26(14-20-28)16-22-30-10-6-8-24-32(30,3)4/h5-24,29-30H,1-4H3.
What are the key properties of 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene?
1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene has a molecular weight of 418.62 g/mol, XLogP of 8.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene is sourced from PubChem (CID 141161555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).