2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine

C34H28N6 — CID 102443041

IUPAC2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine
SMILESCC(c1ccccn1)(c1ccccn1)c1cccc(-c2cccc(C(C)(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C34H28N6/c1-33(27-15-3-7-21-35-27,28-16-4-8-22-36-28)31-19-11-13-25(39-31)26-14-12-20-32(40-26)34(2,29-17-5-9-23-37-29)30-18-6-10-24-38-30/h3-24H,1-2H3
InChIKeyKXKXSRIUYIEDOL-UHFFFAOYSA-N
MW520.64 g/mol
LogP6.43
Rot. Bonds7

About 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine

2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine (PubChem CID 102443041) has the molecular formula C34H28N6 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine
PubChem CID102443041
Molecular FormulaC34H28N6
Molecular Weight520.64 g/mol
Exact Mass520.24
IUPAC Name2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine
SMILESCC(c1ccccn1)(c1ccccn1)c1cccc(-c2cccc(C(C)(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C34H28N6/c1-33(27-15-3-7-21-35-27,28-16-4-8-22-36-28)31-19-11-13-25(39-31)26-14-12-20-32(40-26)34(2,29-17-5-9-23-37-29)30-18-6-10-24-38-30/h3-24H,1-2H3
InChIKeyKXKXSRIUYIEDOL-UHFFFAOYSA-N
XLogP6.43
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine (CID 102443041) is 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine is CC(c1ccccn1)(c1ccccn1)c1cccc(-c2cccc(C(C)(c3ccccn3)c3ccccn3)n2)n1.
What is the InChIKey of 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine?
The InChIKey is KXKXSRIUYIEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6/c1-33(27-15-3-7-21-35-27,28-16-4-8-22-36-28)31-19-11-13-25(39-31)26-14-12-20-32(40-26)34(2,29-17-5-9-23-37-29)30-18-6-10-24-38-30/h3-24H,1-2H3.
What are the key properties of 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine?
2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine has a molecular weight of 520.64 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 102443041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).