1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane

C27H34 — CID 157145365

IUPAC1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
SMILESC.Cc1cc(-c2cc(C)c(C)c(C)c2)c(C)cc1-c1cc(C)c(C)c(C)c1
InChIInChI=1S/C26H30.CH4/c1-15-9-23(10-16(2)21(15)7)25-13-20(6)26(14-19(25)5)24-11-17(3)22(8)18(4)12-24;/h9-14H,1-8H3;1H4
InChIKeyAKQHJHITEWDKPZ-UHFFFAOYSA-N
MW358.57 g/mol
LogP8.12
Rot. Bonds2

About 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane

1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane (PubChem CID 157145365) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane.

Molecular Properties

Compound Name1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
PubChem CID157145365
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
SMILESC.Cc1cc(-c2cc(C)c(C)c(C)c2)c(C)cc1-c1cc(C)c(C)c(C)c1
InChIInChI=1S/C26H30.CH4/c1-15-9-23(10-16(2)21(15)7)25-13-20(6)26(14-19(25)5)24-11-17(3)22(8)18(4)12-24;/h9-14H,1-8H3;1H4
InChIKeyAKQHJHITEWDKPZ-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
CID 54482332
5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
CID 20683371
4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
CID 101299553
5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene
CID 59282201
2,3-dimethyl-5-(3,4,5-trimethylphenyl)aniline
CID 89336175
methane;3,4,5-trimethylphenol
CID 174273113
5-[4-[4-(3,5-dicarboxyphenyl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]benzene-1,3-dicarboxylic acid
CID 172907958
5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol
CID 101299649
ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene
CID 123939497
6-(2-hydroxy-3,4,5-trimethylphenyl)-2,3,4-trimethylphenol
CID 18674738
2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
CID 101299580
[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane
CID 160800669

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane?
The IUPAC name of 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane (CID 157145365) is 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane.
What is the SMILES notation for 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane?
The canonical SMILES for 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane is C.Cc1cc(-c2cc(C)c(C)c(C)c2)c(C)cc1-c1cc(C)c(C)c(C)c1.
What is the InChIKey of 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane?
The InChIKey is AKQHJHITEWDKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30.CH4/c1-15-9-23(10-16(2)21(15)7)25-13-20(6)26(14-19(25)5)24-11-17(3)22(8)18(4)12-24;/h9-14H,1-8H3;1H4.
What are the key properties of 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane?
1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane has a molecular weight of 358.57 g/mol, XLogP of 8.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane is sourced from PubChem (CID 157145365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).