1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene

C26H29F — CID 168802983

IUPAC1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene
SMILESCC(C)(C)c1cccc(-c2cccc(-c3cc(F)cc(C(C)(C)C)c3)c2)c1
InChIInChI=1S/C26H29F/c1-25(2,3)22-12-8-11-20(14-22)18-9-7-10-19(13-18)21-15-23(26(4,5)6)17-24(27)16-21/h7-17H,1-6H3
InChIKeyUSCBFPPUVHOSFY-UHFFFAOYSA-N
MW360.52 g/mol
LogP7.75
Rot. Bonds2

About 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene

1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene (PubChem CID 168802983) has the molecular formula C26H29F and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene
PubChem CID168802983
Molecular FormulaC26H29F
Molecular Weight360.52 g/mol
Exact Mass360.23
IUPAC Name1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene
SMILESCC(C)(C)c1cccc(-c2cccc(-c3cc(F)cc(C(C)(C)C)c3)c2)c1
InChIInChI=1S/C26H29F/c1-25(2,3)22-12-8-11-20(14-22)18-9-7-10-19(13-18)21-15-23(26(4,5)6)17-24(27)16-21/h7-17H,1-6H3
InChIKeyUSCBFPPUVHOSFY-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-(3-fluorophenyl)benzene
CID 59066475
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
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
2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
CID 153279790
4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
CID 168798404
2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
CID 157308201
2,6-bis(3,5-ditert-butylphenyl)-4-[3-(3,5-ditert-butylphenyl)phenyl]pyridine
CID 158776807
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
CID 90264105
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene?
The IUPAC name of 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene (CID 168802983) is 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene.
What is the SMILES notation for 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene?
The canonical SMILES for 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene is CC(C)(C)c1cccc(-c2cccc(-c3cc(F)cc(C(C)(C)C)c3)c2)c1.
What is the InChIKey of 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene?
The InChIKey is USCBFPPUVHOSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F/c1-25(2,3)22-12-8-11-20(14-22)18-9-7-10-19(13-18)21-15-23(26(4,5)6)17-24(27)16-21/h7-17H,1-6H3.
What are the key properties of 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene?
1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene has a molecular weight of 360.52 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene is sourced from PubChem (CID 168802983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).