3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine

C35H41N — CID 176828009

IUPAC3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine
SMILESCC(C)(C)c1cc(-c2ccccc2C(C)(C)C)c(-c2cccnc2)c(-c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C35H41N/c1-33(2,3)25-21-28(26-16-10-12-18-30(26)34(4,5)6)32(24-15-14-20-36-23-24)29(22-25)27-17-11-13-19-31(27)35(7,8)9/h10-23H,1-9H3
InChIKeyBEUSLJTZIXXDDM-UHFFFAOYSA-N
MW475.72 g/mol
LogP9.98
Rot. Bonds3

About 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine

3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine (PubChem CID 176828009) has the molecular formula C35H41N and a molecular weight of 475.72 g/mol. Its IUPAC name is 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine
PubChem CID176828009
Molecular FormulaC35H41N
Molecular Weight475.72 g/mol
Exact Mass475.32
IUPAC Name3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine
SMILESCC(C)(C)c1cc(-c2ccccc2C(C)(C)C)c(-c2cccnc2)c(-c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C35H41N/c1-33(2,3)25-21-28(26-16-10-12-18-30(26)34(4,5)6)32(24-15-14-20-36-23-24)29(22-25)27-17-11-13-19-31(27)35(7,8)9/h10-23H,1-9H3
InChIKeyBEUSLJTZIXXDDM-UHFFFAOYSA-N
XLogP9.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.72
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine
CID 159626068
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
2-[3,5-bis(2-tert-butylphenyl)phenyl]-1,3-bis(2-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 176828165
3-(2-tert-butyl-4-methylphenyl)pyridine
CID 130318628
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 59609416
1,4-ditert-butyl-2,5-bis(2-tert-butylphenyl)-3,6-bis(3,5-ditert-butylphenyl)benzene
CID 176589329
3-(2-methylphenyl)pyridine
CID 4133191
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
CID 122224358
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482

Frequently Asked Questions

What is the IUPAC name of 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine?
The IUPAC name of 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine (CID 176828009) is 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine.
What is the SMILES notation for 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine?
The canonical SMILES for 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine is CC(C)(C)c1cc(-c2ccccc2C(C)(C)C)c(-c2cccnc2)c(-c2ccccc2C(C)(C)C)c1.
What is the InChIKey of 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine?
The InChIKey is BEUSLJTZIXXDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N/c1-33(2,3)25-21-28(26-16-10-12-18-30(26)34(4,5)6)32(24-15-14-20-36-23-24)29(22-25)27-17-11-13-19-31(27)35(7,8)9/h10-23H,1-9H3.
What are the key properties of 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine?
3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine has a molecular weight of 475.72 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine is sourced from PubChem (CID 176828009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).