1-tert-butyl-3-(4-tert-butylphenyl)benzene

C20H26 — CID 12682933

IUPAC1-tert-butyl-3-(4-tert-butylphenyl)benzene
SMILESCC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H26/c1-19(2,3)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20(4,5)6/h7-14H,1-6H3
InChIKeyWKWKEEGSNWMPMF-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.95
Rot. Bonds1

About 1-tert-butyl-3-(4-tert-butylphenyl)benzene

1-tert-butyl-3-(4-tert-butylphenyl)benzene (PubChem CID 12682933) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-tert-butylphenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(4-tert-butylphenyl)benzene
PubChem CID12682933
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-tert-butyl-3-(4-tert-butylphenyl)benzene
SMILESCC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H26/c1-19(2,3)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20(4,5)6/h7-14H,1-6H3
InChIKeyWKWKEEGSNWMPMF-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
4-(3-tert-butylphenyl)-1,2-dimethylbenzene
CID 59105932
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
1-tert-butyl-3-(4-nitrophenyl)benzene
CID 165476956
1-tert-butyl-3-(3-fluorophenyl)benzene
CID 59066475
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
3-[3-(4-tert-butylphenyl)phenyl]benzonitrile
CID 165376163
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532
2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
CID 153279790

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-tert-butylphenyl)benzene?
The IUPAC name of 1-tert-butyl-3-(4-tert-butylphenyl)benzene (CID 12682933) is 1-tert-butyl-3-(4-tert-butylphenyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(4-tert-butylphenyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(4-tert-butylphenyl)benzene is CC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-tert-butylphenyl)benzene?
The InChIKey is WKWKEEGSNWMPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-19(2,3)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20(4,5)6/h7-14H,1-6H3.
What are the key properties of 1-tert-butyl-3-(4-tert-butylphenyl)benzene?
1-tert-butyl-3-(4-tert-butylphenyl)benzene has a molecular weight of 266.43 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-tert-butylphenyl)benzene is sourced from PubChem (CID 12682933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).