4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine

C30H20N6 — CID 11983112

IUPAC4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C30H20N6/c1-5-13-31-23(9-1)27-17-21(18-28(35-27)24-10-2-6-14-32-24)22-19-29(25-11-3-7-15-33-25)36-30(20-22)26-12-4-8-16-34-26/h1-20H
InChIKeyMJIFJDSQZXDTOT-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.39
Rot. Bonds5

About 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine

4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 11983112) has the molecular formula C30H20N6 and a molecular weight of 464.53 g/mol. Its IUPAC name is 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine
PubChem CID11983112
Molecular FormulaC30H20N6
Molecular Weight464.53 g/mol
Exact Mass464.17
IUPAC Name4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C30H20N6/c1-5-13-31-23(9-1)27-17-21(18-28(35-27)24-10-2-6-14-32-24)22-19-29(25-11-3-7-15-33-25)36-30(20-22)26-12-4-8-16-34-26/h1-20H
InChIKeyMJIFJDSQZXDTOT-UHFFFAOYSA-N
XLogP6.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine (CID 11983112) is 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is MJIFJDSQZXDTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6/c1-5-13-31-23(9-1)27-17-21(18-28(35-27)24-10-2-6-14-32-24)22-19-29(25-11-3-7-15-33-25)36-30(20-22)26-12-4-8-16-34-26/h1-20H.
What are the key properties of 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine?
4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 464.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 11983112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).