2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine

C39H34N2O — CID 167252790

IUPAC2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
SMILESCOc1ccccc1-c1cc(-c2ccccc2-c2ccccc2)cc(-c2cccc(-c3cc(C(C)(C)C)ccn3)c2)n1
InChIInChI=1S/C39H34N2O/c1-39(2,3)31-21-22-40-35(26-31)28-15-12-16-29(23-28)36-24-30(25-37(41-36)34-19-10-11-20-38(34)42-4)33-18-9-8-17-32(33)27-13-6-5-7-14-27/h5-26H,1-4H3
InChIKeyRQUKXZSWMSBACP-UHFFFAOYSA-N
MW546.71 g/mol
LogP10.12
Rot. Bonds6

About 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine

2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine (PubChem CID 167252790) has the molecular formula C39H34N2O and a molecular weight of 546.71 g/mol. Its IUPAC name is 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
PubChem CID167252790
Molecular FormulaC39H34N2O
Molecular Weight546.71 g/mol
Exact Mass546.27
IUPAC Name2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
SMILESCOc1ccccc1-c1cc(-c2ccccc2-c2ccccc2)cc(-c2cccc(-c3cc(C(C)(C)C)ccn3)c2)n1
InChIInChI=1S/C39H34N2O/c1-39(2,3)31-21-22-40-35(26-31)28-15-12-16-29(23-28)36-24-30(25-37(41-36)34-19-10-11-20-38(34)42-4)33-18-9-8-17-32(33)27-13-6-5-7-14-27/h5-26H,1-4H3
InChIKeyRQUKXZSWMSBACP-UHFFFAOYSA-N
XLogP10.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine?
The IUPAC name of 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine (CID 167252790) is 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine.
What is the SMILES notation for 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine?
The canonical SMILES for 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine is COc1ccccc1-c1cc(-c2ccccc2-c2ccccc2)cc(-c2cccc(-c3cc(C(C)(C)C)ccn3)c2)n1.
What is the InChIKey of 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine?
The InChIKey is RQUKXZSWMSBACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2O/c1-39(2,3)31-21-22-40-35(26-31)28-15-12-16-29(23-28)36-24-30(25-37(41-36)34-19-10-11-20-38(34)42-4)33-18-9-8-17-32(33)27-13-6-5-7-14-27/h5-26H,1-4H3.
What are the key properties of 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine?
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine has a molecular weight of 546.71 g/mol, XLogP of 10.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine is sourced from PubChem (CID 167252790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).