2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine

C36H25N5 — CID 129256970

IUPAC2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C36H25N5/c1-3-11-27(12-4-1)35-39-40-36(28-13-5-2-6-14-28)41(35)32-19-17-26(18-20-32)29-23-30(33-15-7-9-21-37-33)25-31(24-29)34-16-8-10-22-38-34/h1-25H
InChIKeyQCAURQONIMOZPZ-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.39
Rot. Bonds6

About 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine

2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 129256970) has the molecular formula C36H25N5 and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID129256970
Molecular FormulaC36H25N5
Molecular Weight527.63 g/mol
Exact Mass527.21
IUPAC Name2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C36H25N5/c1-3-11-27(12-4-1)35-39-40-36(28-13-5-2-6-14-28)41(35)32-19-17-26(18-20-32)29-23-30(33-15-7-9-21-37-33)25-31(24-29)34-16-8-10-22-38-34/h1-25H
InChIKeyQCAURQONIMOZPZ-UHFFFAOYSA-N
XLogP8.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58489481
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
3-[6-(4,5-diphenyl-1,2,4-triazol-3-yl)pyren-1-yl]-4,5-diphenyl-1,2,4-triazole;2-[6-(4,5-diphenyl-1,2,4-triazol-3-yl)pyren-1-yl]pyridine;3-(6-naphthalen-2-ylpyren-1-yl)-4,5-diphenyl-1,2,4-triazole
CID 162088140
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine (CID 129256970) is 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is QCAURQONIMOZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5/c1-3-11-27(12-4-1)35-39-40-36(28-13-5-2-6-14-28)41(35)32-19-17-26(18-20-32)29-23-30(33-15-7-9-21-37-33)25-31(24-29)34-16-8-10-22-38-34/h1-25H.
What are the key properties of 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 527.63 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 129256970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).