2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene

C24H26 — CID 91389768

IUPAC2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene
SMILESCc1cc(C)cc(-c2cc(C)c(-c3cc(C)ccc3C)c(C)c2)c1
InChIInChI=1S/C24H26/c1-15-7-8-18(4)23(12-15)24-19(5)13-22(14-20(24)6)21-10-16(2)9-17(3)11-21/h7-14H,1-6H3
InChIKeyCDHTXINTDGXJFO-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.87
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene

2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene (PubChem CID 91389768) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene
PubChem CID91389768
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene
SMILESCc1cc(C)cc(-c2cc(C)c(-c3cc(C)ccc3C)c(C)c2)c1
InChIInChI=1S/C24H26/c1-15-7-8-18(4)23(12-15)24-19(5)13-22(14-20(24)6)21-10-16(2)9-17(3)11-21/h7-14H,1-6H3
InChIKeyCDHTXINTDGXJFO-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene (CID 91389768) is 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene is Cc1cc(C)cc(-c2cc(C)c(-c3cc(C)ccc3C)c(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene?
The InChIKey is CDHTXINTDGXJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-15-7-8-18(4)23(12-15)24-19(5)13-22(14-20(24)6)21-10-16(2)9-17(3)11-21/h7-14H,1-6H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene?
2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene has a molecular weight of 314.47 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene is sourced from PubChem (CID 91389768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).