[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene

C23H24 — CID 162275841

IUPAC[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene
SMILESC=C(C(C)=C(C)/C=C/c1ccccc1)/C(C)=C/c1ccccc1
InChIInChI=1S/C23H24/c1-18(15-16-22-11-7-5-8-12-22)20(3)21(4)19(2)17-23-13-9-6-10-14-23/h5-17H,4H2,1-3H3/b16-15+,19-17+,20-18?
InChIKeyMRPGFFARJXZYHL-GTCLIDTKSA-N
MW300.44 g/mol
LogP6.70
Rot. Bonds5

About [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene

[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene (PubChem CID 162275841) has the molecular formula C23H24 and a molecular weight of 300.44 g/mol. Its IUPAC name is [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene.

Molecular Properties

Compound Name[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene
PubChem CID162275841
Molecular FormulaC23H24
Molecular Weight300.44 g/mol
Exact Mass300.19
IUPAC Name[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene
SMILESC=C(C(C)=C(C)/C=C/c1ccccc1)/C(C)=C/c1ccccc1
InChIInChI=1S/C23H24/c1-18(15-16-22-11-7-5-8-12-22)20(3)21(4)19(2)17-23-13-9-6-10-14-23/h5-17H,4H2,1-3H3/b16-15+,19-17+,20-18?
InChIKeyMRPGFFARJXZYHL-GTCLIDTKSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]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

[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
CID 102383415
2-methyl-3-phenylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 67448795
[(1E)-3-fluoro-2-methylbuta-1,3-dienyl]benzene
CID 12586000
[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 11680420
2-(4-phenylbut-3-en-2-ylidene)propanedioic acid
CID 85132493
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
1,4-diphenylbuta-1,3-dien-2-yl(trimethyl)silane
CID 86083751
tert-butyl 2,3-dimethyl-5-phenylpenta-2,4-dienoate
CID 174057305
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289

Frequently Asked Questions

What is the IUPAC name of [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene?
The IUPAC name of [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene (CID 162275841) is [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene.
What is the SMILES notation for [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene?
The canonical SMILES for [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene is C=C(C(C)=C(C)/C=C/c1ccccc1)/C(C)=C/c1ccccc1.
What is the InChIKey of [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene?
The InChIKey is MRPGFFARJXZYHL-GTCLIDTKSA-N. The full InChI is InChI=1S/C23H24/c1-18(15-16-22-11-7-5-8-12-22)20(3)21(4)19(2)17-23-13-9-6-10-14-23/h5-17H,4H2,1-3H3/b16-15+,19-17+,20-18?.
What are the key properties of [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene?
[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene has a molecular weight of 300.44 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,6E)-2,4,5-trimethyl-3-methylidene-7-phenylhepta-1,4,6-trienyl]benzene is sourced from PubChem (CID 162275841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).