1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene

C27H32 — CID 145161714

IUPAC1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene
SMILESCc1ccc(C(Cc2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C27H32/c1-17-8-10-24(11-9-17)26(27-22(6)14-19(3)15-23(27)7)16-25-20(4)12-18(2)13-21(25)5/h8-15,26H,16H2,1-7H3
InChIKeyIHXVUUFQQOBFHX-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.22
Rot. Bonds4

About 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene

1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene (PubChem CID 145161714) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene
PubChem CID145161714
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene
SMILESCc1ccc(C(Cc2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C27H32/c1-17-8-10-24(11-9-17)26(27-22(6)14-19(3)15-23(27)7)16-25-20(4)12-18(2)13-21(25)5/h8-15,26H,16H2,1-7H3
InChIKeyIHXVUUFQQOBFHX-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]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

2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
CID 82141452
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene
CID 57172453
2-[3-chloro-2-(4-fluorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79437417
1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549311
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65142021

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene (CID 145161714) is 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene is Cc1ccc(C(Cc2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene?
The InChIKey is IHXVUUFQQOBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-17-8-10-24(11-9-17)26(27-22(6)14-19(3)15-23(27)7)16-25-20(4)12-18(2)13-21(25)5/h8-15,26H,16H2,1-7H3.
What are the key properties of 1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene?
1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene has a molecular weight of 356.55 g/mol, XLogP of 7.22, 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-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene is sourced from PubChem (CID 145161714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).