4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine

C29H20N6 — CID 162662895

IUPAC4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cn(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)nn2)cc1
InChIInChI=1S/C29H20N6/c1-2-8-22(9-3-1)29-20-35(34-33-29)24-14-12-21(13-15-24)23-18-27(25-10-4-6-16-30-25)32-28(19-23)26-11-5-7-17-31-26/h1-20H
InChIKeyNNQFSJZJGDYCKO-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.12
Rot. Bonds5

About 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 162662895) has the molecular formula C29H20N6 and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID162662895
Molecular FormulaC29H20N6
Molecular Weight452.52 g/mol
Exact Mass452.17
IUPAC Name4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cn(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)nn2)cc1
InChIInChI=1S/C29H20N6/c1-2-8-22(9-3-1)29-20-35(34-33-29)24-14-12-21(13-15-24)23-18-27(25-10-4-6-16-30-25)32-28(19-23)26-11-5-7-17-31-26/h1-20H
InChIKeyNNQFSJZJGDYCKO-UHFFFAOYSA-N
XLogP6.12
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(4-pentoxyphenyl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 162651464
4-[4-[1-(10-bromoanthracen-9-yl)triazol-4-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102507811
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4-[4-(4-phenyltriazol-1-yl)phenyl]benzonitrile
CID 102418496
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
2,5-bis(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazole
CID 143438639
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 162662895) is 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cn(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)nn2)cc1.
What is the InChIKey of 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is NNQFSJZJGDYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N6/c1-2-8-22(9-3-1)29-20-35(34-33-29)24-14-12-21(13-15-24)23-18-27(25-10-4-6-16-30-25)32-28(19-23)26-11-5-7-17-31-26/h1-20H.
What are the key properties of 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 452.52 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 162662895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).