2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine

C33H23N3 — CID 118582495

IUPAC2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4cccnc4)c3)c2)cc1
InChIInChI=1S/C33H23N3/c1-3-8-24(9-4-1)30-21-32(26-10-5-2-6-11-26)36-33(22-30)31-19-28(25-13-16-34-17-14-25)18-29(20-31)27-12-7-15-35-23-27/h1-23H
InChIKeyASCUNTKBKMIBTP-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.21
Rot. Bonds5

About 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine

2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine (PubChem CID 118582495) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
PubChem CID118582495
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4cccnc4)c3)c2)cc1
InChIInChI=1S/C33H23N3/c1-3-8-24(9-4-1)30-21-32(26-10-5-2-6-11-26)36-33(22-30)31-19-28(25-13-16-34-17-14-25)18-29(20-31)27-12-7-15-35-23-27/h1-23H
InChIKeyASCUNTKBKMIBTP-UHFFFAOYSA-N
XLogP8.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine?
The IUPAC name of 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine (CID 118582495) is 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine.
What is the SMILES notation for 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine?
The canonical SMILES for 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4cccnc4)c3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine?
The InChIKey is ASCUNTKBKMIBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-3-8-24(9-4-1)30-21-32(26-10-5-2-6-11-26)36-33(22-30)31-19-28(25-13-16-34-17-14-25)18-29(20-31)27-12-7-15-35-23-27/h1-23H.
What are the key properties of 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine?
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine has a molecular weight of 461.57 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 118582495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).