1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene

C18H18 — CID 139725078

IUPAC1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1=CCC(c2ccccc2C2=CC=CC2)=C1C
InChIInChI=1S/C18H18/c1-13-11-12-16(14(13)2)18-10-6-5-9-17(18)15-7-3-4-8-15/h3-7,9-11H,8,12H2,1-2H3
InChIKeyTVXQHQZFURODRW-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.15
Rot. Bonds2

About 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene

1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 139725078) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID139725078
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1=CCC(c2ccccc2C2=CC=CC2)=C1C
InChIInChI=1S/C18H18/c1-13-11-12-16(14(13)2)18-10-6-5-9-17(18)15-7-3-4-8-15/h3-7,9-11H,8,12H2,1-2H3
InChIKeyTVXQHQZFURODRW-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride
CID 87491052
methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 145003907
1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
CID 18328507
N-[1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]-2-methylpropan-2-amine
CID 23015687
2-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
CID 87501015
1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
CID 174354698
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
CID 145066203
CID 21072158
CID 21072158
2-cyclopenta-1,3-dien-1-ylbenzamide
CID 22676479
5-methyl-9H-benzo[7]annulene
CID 123648201
N-[[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]butan-1-amine
CID 23015602
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene (CID 139725078) is 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene is CC1=CCC(c2ccccc2C2=CC=CC2)=C1C.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is TVXQHQZFURODRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-13-11-12-16(14(13)2)18-10-6-5-9-17(18)15-7-3-4-8-15/h3-7,9-11H,8,12H2,1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene?
1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 234.34 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 139725078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).