1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene

C23H24 — CID 59307414

IUPAC1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene
SMILESC=CCc1ccc(C2=CC=CC2c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H24/c1-5-7-19-10-12-20(13-11-19)21-8-6-9-22(21)23-17(3)14-16(2)15-18(23)4/h5-6,8-15,22H,1,7H2,2-4H3
InChIKeyKGXZKRNFZYBUHN-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.08
Rot. Bonds4

About 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene

1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene (PubChem CID 59307414) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene
PubChem CID59307414
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene
SMILESC=CCc1ccc(C2=CC=CC2c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H24/c1-5-7-19-10-12-20(13-11-19)21-8-6-9-22(21)23-17(3)14-16(2)15-18(23)4/h5-6,8-15,22H,1,7H2,2-4H3
InChIKeyKGXZKRNFZYBUHN-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
10,20-bis(4-methylphenyl)-5-(4-prop-2-enylphenyl)-15-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11411742
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346
(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine
CID 19368603
4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
CID 58113467
1,3-difluoro-5-[4-(4-prop-2-enylphenyl)phenyl]-2-(3,4,5-trifluorophenyl)benzene
CID 122659421
2-fluoro-1-methyl-4-prop-2-enylbenzene
CID 2759034
1-chloro-2-methyl-4-prop-2-enylbenzene
CID 2757698
bis(4-prop-2-enylphenyl)iodanium
CID 87130865
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylphenyl)phenyl]phenyl]benzene
CID 69096700

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene (CID 59307414) is 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene is C=CCc1ccc(C2=CC=CC2c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene?
The InChIKey is KGXZKRNFZYBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-5-7-19-10-12-20(13-11-19)21-8-6-9-22(21)23-17(3)14-16(2)15-18(23)4/h5-6,8-15,22H,1,7H2,2-4H3.
What are the key properties of 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene?
1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene has a molecular weight of 300.45 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[2-(4-prop-2-enylphenyl)cyclopenta-2,4-dien-1-yl]benzene is sourced from PubChem (CID 59307414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).