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

C36H24N6 — CID 5103711

IUPAC4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H
InChIKeyNXMHYAQTBVTLRK-UHFFFAOYSA-N
MW540.63 g/mol
LogP8.06
Rot. Bonds6

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

4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 5103711) has the molecular formula C36H24N6 and a molecular weight of 540.63 g/mol. Its IUPAC name is 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID5103711
Molecular FormulaC36H24N6
Molecular Weight540.63 g/mol
Exact Mass540.21
IUPAC Name4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H
InChIKeyNXMHYAQTBVTLRK-UHFFFAOYSA-N
XLogP8.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 5103711) is 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is NXMHYAQTBVTLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H.
What are the key properties of 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 540.63 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 5103711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).