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

C26H30 — CID 59749663

IUPAC1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene
SMILESCc1ccc(C(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C26H30/c1-16-8-10-23(11-9-16)26(24-12-17(2)21(6)18(3)13-24)25-14-19(4)22(7)20(5)15-25/h8-15,26H,1-7H3
InChIKeyJHPGHFVUSNRLPJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.03
Rot. Bonds3

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

1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene (PubChem CID 59749663) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene
PubChem CID59749663
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene
SMILESCc1ccc(C(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C26H30/c1-16-8-10-23(11-9-16)26(24-12-17(2)21(6)18(3)13-24)25-14-19(4)22(7)20(5)15-25/h8-15,26H,1-7H3
InChIKeyJHPGHFVUSNRLPJ-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)
CID 162034169
5-[(3,5-dimethyl-4-prop-2-ynoxyphenyl)-(4-methylphenyl)methyl]-1,3-dimethyl-2-prop-2-ynoxybenzene
CID 146424169
4-[[4-[bis(4-carboxy-3,5-dimethylphenyl)methyl]phenyl]-(4-carboxy-3,5-dimethylphenyl)methyl]-2,6-dimethylbenzoic acid
CID 139962404
4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 166514655
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene
CID 123777850
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
CID 146638185
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;nitromethane
CID 139145272
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 134272422
1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
CID 158783071

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene?
The IUPAC name of 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene (CID 59749663) is 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene is Cc1ccc(C(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc1.
What is the InChIKey of 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene?
The InChIKey is JHPGHFVUSNRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-16-8-10-23(11-9-16)26(24-12-17(2)21(6)18(3)13-24)25-14-19(4)22(7)20(5)15-25/h8-15,26H,1-7H3.
What are the key properties of 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene?
1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene has a molecular weight of 342.53 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene is sourced from PubChem (CID 59749663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).