2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine

C28H19N7 — CID 162676607

IUPAC2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine
SMILESc1ccc(-c2cn(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)nn2)nc1
InChIInChI=1S/C28H19N7/c1-4-14-29-23(7-1)26-17-21(18-27(32-26)24-8-2-5-15-30-24)20-10-12-22(13-11-20)35-19-28(33-34-35)25-9-3-6-16-31-25/h1-19H
InChIKeyDDTALZSNBUEEPC-UHFFFAOYSA-N
MW453.51 g/mol
LogP5.52
Rot. Bonds5

About 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine

2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine (PubChem CID 162676607) has the molecular formula C28H19N7 and a molecular weight of 453.51 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine
PubChem CID162676607
Molecular FormulaC28H19N7
Molecular Weight453.51 g/mol
Exact Mass453.17
IUPAC Name2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine
SMILESc1ccc(-c2cn(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)nn2)nc1
InChIInChI=1S/C28H19N7/c1-4-14-29-23(7-1)26-17-21(18-27(32-26)24-8-2-5-15-30-24)20-10-12-22(13-11-20)35-19-28(33-34-35)25-9-3-6-16-31-25/h1-19H
InChIKeyDDTALZSNBUEEPC-UHFFFAOYSA-N
XLogP5.52
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine?
The IUPAC name of 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine (CID 162676607) is 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine.
What is the SMILES notation for 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine?
The canonical SMILES for 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine is c1ccc(-c2cn(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)nn2)nc1.
What is the InChIKey of 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine?
The InChIKey is DDTALZSNBUEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N7/c1-4-14-29-23(7-1)26-17-21(18-27(32-26)24-8-2-5-15-30-24)20-10-12-22(13-11-20)35-19-28(33-34-35)25-9-3-6-16-31-25/h1-19H.
What are the key properties of 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine?
2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine has a molecular weight of 453.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine is sourced from PubChem (CID 162676607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).