1,4-ditert-butyl-2-(2-phenylphenyl)benzene

C26H30 — CID 174563257

IUPAC1,4-ditert-butyl-2-(2-phenylphenyl)benzene
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C26H30/c1-25(2,3)20-16-17-24(26(4,5)6)23(18-20)22-15-11-10-14-21(22)19-12-8-7-9-13-19/h7-18H,1-6H3
InChIKeyQGFICMDTWACUPV-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.62
Rot. Bonds2

About 1,4-ditert-butyl-2-(2-phenylphenyl)benzene

1,4-ditert-butyl-2-(2-phenylphenyl)benzene (PubChem CID 174563257) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,4-ditert-butyl-2-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1,4-ditert-butyl-2-(2-phenylphenyl)benzene
PubChem CID174563257
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,4-ditert-butyl-2-(2-phenylphenyl)benzene
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C26H30/c1-25(2,3)20-16-17-24(26(4,5)6)23(18-20)22-15-11-10-14-21(22)19-12-8-7-9-13-19/h7-18H,1-6H3
InChIKeyQGFICMDTWACUPV-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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Related Compounds

4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
2,10-ditert-butyltetraphenylene
CID 159208403
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873
1,2-bis(2,4-ditert-butylphenyl)-4-phenylbenzene
CID 141103881
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
1,2,3,4,5-pentadeuterio-6-(2,5-ditert-butylphenyl)benzene
CID 166010763
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2-(2-phenylphenyl)benzene?
The IUPAC name of 1,4-ditert-butyl-2-(2-phenylphenyl)benzene (CID 174563257) is 1,4-ditert-butyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for 1,4-ditert-butyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for 1,4-ditert-butyl-2-(2-phenylphenyl)benzene is CC(C)(C)c1ccc(C(C)(C)C)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 1,4-ditert-butyl-2-(2-phenylphenyl)benzene?
The InChIKey is QGFICMDTWACUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-25(2,3)20-16-17-24(26(4,5)6)23(18-20)22-15-11-10-14-21(22)19-12-8-7-9-13-19/h7-18H,1-6H3.
What are the key properties of 1,4-ditert-butyl-2-(2-phenylphenyl)benzene?
1,4-ditert-butyl-2-(2-phenylphenyl)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 1,4-ditert-butyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 174563257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).