2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine

C31H21N9 — CID 137095198

IUPAC2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine
SMILESc1ccc(-c2cccnc2-c2nn[nH]c2-c2cccc(-c3[nH]nnc3-c3ncccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C31H21N9/c1-3-10-20(11-4-1)22-14-8-18-32-26(22)30-28(35-39-37-30)24-16-7-17-25(34-24)29-31(38-40-36-29)27-23(15-9-19-33-27)21-12-5-2-6-13-21/h1-19H,(H,35,37,39)(H,36,38,40)
InChIKeyGDHJPDOUXGEQBW-UHFFFAOYSA-N
MW519.57 g/mol
LogP6.11
Rot. Bonds6

About 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine

2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine (PubChem CID 137095198) has the molecular formula C31H21N9 and a molecular weight of 519.57 g/mol. Its IUPAC name is 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine.

Molecular Properties

Compound Name2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine
PubChem CID137095198
Molecular FormulaC31H21N9
Molecular Weight519.57 g/mol
Exact Mass519.19
IUPAC Name2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine
SMILESc1ccc(-c2cccnc2-c2nn[nH]c2-c2cccc(-c3[nH]nnc3-c3ncccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C31H21N9/c1-3-10-20(11-4-1)22-14-8-18-32-26(22)30-28(35-39-37-30)24-16-7-17-25(34-24)29-31(38-40-36-29)27-23(15-9-19-33-27)21-12-5-2-6-13-21/h1-19H,(H,35,37,39)(H,36,38,40)
InChIKeyGDHJPDOUXGEQBW-UHFFFAOYSA-N
XLogP6.11
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.57
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[2-fluorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine?
The IUPAC name of 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine (CID 137095198) is 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine.
What is the SMILES notation for 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine?
The canonical SMILES for 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine is c1ccc(-c2cccnc2-c2nn[nH]c2-c2cccc(-c3[nH]nnc3-c3ncccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine?
The InChIKey is GDHJPDOUXGEQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N9/c1-3-10-20(11-4-1)22-14-8-18-32-26(22)30-28(35-39-37-30)24-16-7-17-25(34-24)29-31(38-40-36-29)27-23(15-9-19-33-27)21-12-5-2-6-13-21/h1-19H,(H,35,37,39)(H,36,38,40).
What are the key properties of 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine?
2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine has a molecular weight of 519.57 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-(3-phenyl-2-pyridinyl)-1H-triazol-5-yl]pyridine is sourced from PubChem (CID 137095198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).