2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine

C37H34N6 — CID 3044374

IUPAC2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2cccc(-c3cccc(CCCCCCCc4cccc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1
InChIInChI=1S/C37H34N6/c1(2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30)3-5-15-29-17-11-21-35(41-29)37-25-13-23-33(43-37)31-19-7-9-27-39-31/h6-13,16-27H,1-5,14-15H2
InChIKeyRRWVXDUFMDIROD-UHFFFAOYSA-N
MW562.72 g/mol
LogP8.46
Rot. Bonds12

About 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine

2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine (PubChem CID 3044374) has the molecular formula C37H34N6 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine
PubChem CID3044374
Molecular FormulaC37H34N6
Molecular Weight562.72 g/mol
Exact Mass562.28
IUPAC Name2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2cccc(-c3cccc(CCCCCCCc4cccc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1
InChIInChI=1S/C37H34N6/c1(2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30)3-5-15-29-17-11-21-35(41-29)37-25-13-23-33(43-37)31-19-7-9-27-39-31/h6-13,16-27H,1-5,14-15H2
InChIKeyRRWVXDUFMDIROD-UHFFFAOYSA-N
XLogP8.46
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine (CID 3044374) is 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine is c1ccc(-c2cccc(-c3cccc(CCCCCCCc4cccc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine?
The InChIKey is RRWVXDUFMDIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N6/c1(2-4-14-28-16-10-20-34(40-28)36-24-12-22-32(42-36)30-18-6-8-26-38-30)3-5-15-29-17-11-21-35(41-29)37-25-13-23-33(43-37)31-19-7-9-27-39-31/h6-13,16-27H,1-5,14-15H2.
What are the key properties of 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine?
2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine has a molecular weight of 562.72 g/mol, XLogP of 8.46, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-[6-[7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]heptyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 3044374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).