[cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene

C26H26 — CID 91587028

IUPAC[cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene
SMILESCC1C=CC(C(C2=CC=CCC2)(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C26H26/c1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-9,11-15,17,19-21H,10,16,18H2,1H3
InChIKeyCFDUJAYJGVVLET-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.77
Rot. Bonds4

About [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene

[cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene (PubChem CID 91587028) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene.

Molecular Properties

Compound Name[cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene
PubChem CID91587028
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name[cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene
SMILESCC1C=CC(C(C2=CC=CCC2)(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C26H26/c1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-9,11-15,17,19-21H,10,16,18H2,1H3
InChIKeyCFDUJAYJGVVLET-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-bromoethoxy-cyclohexa-1,3-dien-1-yl-[(4S)-4-methoxycyclohexa-1,5-dien-1-yl]methyl]benzene
CID 89328190
(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol
CID 143290825
4-[3-[cyclohexa-1,3-dien-1-yl(diphenyl)methyl]phenyl]-2-phenyl-6-(3-tritylcyclohexa-1,3-dien-1-yl)pyrimidine
CID 155372343
N-cyclohexa-2,4-dien-1-yl-7-[(E)-2-[4-[(E)-2-[4-[4-(cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-phenylmethyl)phenyl]phenyl]ethenyl]phenyl]ethenyl]-9,9-diethyl-N-phenyl-5,6-dihydrofluoren-2-amine
CID 89067284
1,6-dimethylcyclodeca-1,3,7-triene
CID 91114782
1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
CID 154542947
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 139514263
CID 169190694
CID 169190694
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene
CID 163761280
2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene
CID 163777121

Frequently Asked Questions

What is the IUPAC name of [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene?
The IUPAC name of [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene (CID 91587028) is [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene.
What is the SMILES notation for [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene?
The canonical SMILES for [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene is CC1C=CC(C(C2=CC=CCC2)(c2ccccc2)c2ccccc2)=CC1.
What is the InChIKey of [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene?
The InChIKey is CFDUJAYJGVVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26/c1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-9,11-15,17,19-21H,10,16,18H2,1H3.
What are the key properties of [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene?
[cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene has a molecular weight of 338.49 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene is sourced from PubChem (CID 91587028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).