1,2-ditert-butyl-3-(4-phenylphenyl)benzene

C26H30 — CID 19802295

IUPAC1,2-ditert-butyl-3-(4-phenylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1C(C)(C)C
InChIInChI=1S/C26H30/c1-25(2,3)23-14-10-13-22(24(23)26(4,5)6)21-17-15-20(16-18-21)19-11-8-7-9-12-19/h7-18H,1-6H3
InChIKeyOYFBJRGAKKCJEY-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.62
Rot. Bonds2

About 1,2-ditert-butyl-3-(4-phenylphenyl)benzene

1,2-ditert-butyl-3-(4-phenylphenyl)benzene (PubChem CID 19802295) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,2-ditert-butyl-3-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1,2-ditert-butyl-3-(4-phenylphenyl)benzene
PubChem CID19802295
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,2-ditert-butyl-3-(4-phenylphenyl)benzene
SMILESCC(C)(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1C(C)(C)C
InChIInChI=1S/C26H30/c1-25(2,3)23-14-10-13-22(24(23)26(4,5)6)21-17-15-20(16-18-21)19-11-8-7-9-12-19/h7-18H,1-6H3
InChIKeyOYFBJRGAKKCJEY-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

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-methyl-3-phenylbenzene
CID 58759488
2-tert-butyl-1-chloro-3-phenylbenzene
CID 54287160
2-(2,3-ditert-butylphenyl)phenol
CID 19881409
1,2-ditert-butyl-3-iodo-4-phenylbenzene
CID 122537988
(2-tert-butyl-6-phenylphenyl)methylphosphane
CID 67259813
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene
CID 90735400
1-tert-butyl-2,6-diphenylnaphthalene
CID 169050130
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
9-tert-butyl-1-phenylphenanthrene
CID 166007758

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3-(4-phenylphenyl)benzene?
The IUPAC name of 1,2-ditert-butyl-3-(4-phenylphenyl)benzene (CID 19802295) is 1,2-ditert-butyl-3-(4-phenylphenyl)benzene.
What is the SMILES notation for 1,2-ditert-butyl-3-(4-phenylphenyl)benzene?
The canonical SMILES for 1,2-ditert-butyl-3-(4-phenylphenyl)benzene is CC(C)(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-3-(4-phenylphenyl)benzene?
The InChIKey is OYFBJRGAKKCJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-25(2,3)23-14-10-13-22(24(23)26(4,5)6)21-17-15-20(16-18-21)19-11-8-7-9-12-19/h7-18H,1-6H3.
What are the key properties of 1,2-ditert-butyl-3-(4-phenylphenyl)benzene?
1,2-ditert-butyl-3-(4-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 1,2-ditert-butyl-3-(4-phenylphenyl)benzene is sourced from PubChem (CID 19802295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).