1,2-bis(3-tert-butylphenyl)benzene

C26H30 — CID 164767999

IUPAC1,2-bis(3-tert-butylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2ccccc2-c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C26H30/c1-25(2,3)21-13-9-11-19(17-21)23-15-7-8-16-24(23)20-12-10-14-22(18-20)26(4,5)6/h7-18H,1-6H3
InChIKeyJRFQWKGTZVSMBJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.62
Rot. Bonds2

About 1,2-bis(3-tert-butylphenyl)benzene

1,2-bis(3-tert-butylphenyl)benzene (PubChem CID 164767999) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,2-bis(3-tert-butylphenyl)benzene.

Molecular Properties

Compound Name1,2-bis(3-tert-butylphenyl)benzene
PubChem CID164767999
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,2-bis(3-tert-butylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2ccccc2-c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C26H30/c1-25(2,3)21-13-9-11-19(17-21)23-15-7-8-16-24(23)20-12-10-14-22(18-20)26(4,5)6/h7-18H,1-6H3
InChIKeyJRFQWKGTZVSMBJ-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-tert-butylphenyl)benzene?
The IUPAC name of 1,2-bis(3-tert-butylphenyl)benzene (CID 164767999) is 1,2-bis(3-tert-butylphenyl)benzene.
What is the SMILES notation for 1,2-bis(3-tert-butylphenyl)benzene?
The canonical SMILES for 1,2-bis(3-tert-butylphenyl)benzene is CC(C)(C)c1cccc(-c2ccccc2-c2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 1,2-bis(3-tert-butylphenyl)benzene?
The InChIKey is JRFQWKGTZVSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-25(2,3)21-13-9-11-19(17-21)23-15-7-8-16-24(23)20-12-10-14-22(18-20)26(4,5)6/h7-18H,1-6H3.
What are the key properties of 1,2-bis(3-tert-butylphenyl)benzene?
1,2-bis(3-tert-butylphenyl)benzene has a molecular weight of 342.53 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-tert-butylphenyl)benzene is sourced from PubChem (CID 164767999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).