1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene

C28H26 — CID 141150554

IUPAC1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
SMILESCC(C)(C)c1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H26/c1-28(2,3)27-12-8-7-11-26(27)25-19-17-24(18-20-25)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3
InChIKeyOOFKZNYEBCGDOU-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.99
Rot. Bonds3

About 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene

1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene (PubChem CID 141150554) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
PubChem CID141150554
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
SMILESCC(C)(C)c1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H26/c1-28(2,3)27-12-8-7-11-26(27)25-19-17-24(18-20-25)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3
InChIKeyOOFKZNYEBCGDOU-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 175090687
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
(2-tert-butyl-6-phenylphenyl)methylphosphane
CID 67259813
1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 140946173
2-methyl-2-(2-phenylphenyl)propanenitrile
CID 151853688

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene?
The IUPAC name of 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene (CID 141150554) is 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene is CC(C)(C)c1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene?
The InChIKey is OOFKZNYEBCGDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-28(2,3)27-12-8-7-11-26(27)25-19-17-24(18-20-25)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3.
What are the key properties of 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene?
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene has a molecular weight of 362.52 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 141150554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).