1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene

C31H32 — CID 59427035

IUPAC1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
SMILESCc1ccc(CCC(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H32/c1-23-5-13-27(14-6-23)21-22-31(28-15-7-24(2)8-16-28,29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3
InChIKeyGRNIMJGDWCOPHL-UHFFFAOYSA-N
MW404.60 g/mol
LogP7.89
Rot. Bonds6

About 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene

1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene (PubChem CID 59427035) has the molecular formula C31H32 and a molecular weight of 404.60 g/mol. Its IUPAC name is 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
PubChem CID59427035
Molecular FormulaC31H32
Molecular Weight404.60 g/mol
Exact Mass404.25
IUPAC Name1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
SMILESCc1ccc(CCC(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H32/c1-23-5-13-27(14-6-23)21-22-31(28-15-7-24(2)8-16-28,29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3
InChIKeyGRNIMJGDWCOPHL-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]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

1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
4,4-dimethyl-6-(4-methylphenyl)hexan-3-one
CID 159889737
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
1-(4-iodo-3,3-dimethylbutyl)-4-methylbenzene
CID 135084054
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
2-(4-methylphenyl)-4-phenylbutan-2-amine
CID 60797705
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene?
The IUPAC name of 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene (CID 59427035) is 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene.
What is the SMILES notation for 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene?
The canonical SMILES for 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene is Cc1ccc(CCC(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene?
The InChIKey is GRNIMJGDWCOPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32/c1-23-5-13-27(14-6-23)21-22-31(28-15-7-24(2)8-16-28,29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3.
What are the key properties of 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene?
1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene has a molecular weight of 404.60 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene is sourced from PubChem (CID 59427035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).