3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine

C27H25N — CID 90764339

IUPAC3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C27H25N/c1-27(2,3)24-16-14-22(15-17-24)26-9-5-4-8-25(26)21-12-10-20(11-13-21)23-7-6-18-28-19-23/h4-19H,1-3H3
InChIKeyNEYRLOUQHZBFBL-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.38
Rot. Bonds3

About 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine

3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine (PubChem CID 90764339) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
PubChem CID90764339
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C27H25N/c1-27(2,3)24-16-14-22(15-17-24)26-9-5-4-8-25(26)21-12-10-20(11-13-21)23-7-6-18-28-19-23/h4-19H,1-3H3
InChIKeyNEYRLOUQHZBFBL-UHFFFAOYSA-N
XLogP7.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine (CID 90764339) is 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine is CC(C)(C)c1ccc(-c2ccccc2-c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine?
The InChIKey is NEYRLOUQHZBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-27(2,3)24-16-14-22(15-17-24)26-9-5-4-8-25(26)21-12-10-20(11-13-21)23-7-6-18-28-19-23/h4-19H,1-3H3.
What are the key properties of 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine?
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine has a molecular weight of 363.50 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 90764339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).