1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene

C27H32 — CID 165165056

IUPAC1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene
SMILESCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)ccc1C(C)(C)C
InChIInChI=1S/C27H32/c1-19-18-23(14-17-25(19)27(5,6)7)22-10-8-20(9-11-22)21-12-15-24(16-13-21)26(2,3)4/h8-18H,1-7H3
InChIKeyQEZOTZMPEPBETH-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.92
Rot. Bonds2

About 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene

1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene (PubChem CID 165165056) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene
PubChem CID165165056
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene
SMILESCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)ccc1C(C)(C)C
InChIInChI=1S/C27H32/c1-19-18-23(14-17-25(19)27(5,6)7)22-10-8-20(9-11-22)21-12-15-24(16-13-21)26(2,3)4/h8-18H,1-7H3
InChIKeyQEZOTZMPEPBETH-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
M-Terphenyl
CID 7076
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
p-Terphenyl
CID 7115
1,6-Dimethylnaphthalene
CID 11328

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene?
The IUPAC name of 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene (CID 165165056) is 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene.
What is the SMILES notation for 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene?
The canonical SMILES for 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene is Cc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)ccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene?
The InChIKey is QEZOTZMPEPBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-19-18-23(14-17-25(19)27(5,6)7)22-10-8-20(9-11-22)21-12-15-24(16-13-21)26(2,3)4/h8-18H,1-7H3.
What are the key properties of 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene?
1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene has a molecular weight of 356.55 g/mol, XLogP of 7.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene is sourced from PubChem (CID 165165056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).