2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine

C23H28N2 — CID 174973981

IUPAC2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine
SMILESCCCCCCCC1C=C(c2ccncc2)C=CN1c1ccccc1
InChIInChI=1S/C23H28N2/c1-2-3-4-5-7-12-23-19-21(20-13-16-24-17-14-20)15-18-25(23)22-10-8-6-9-11-22/h6,8-11,13-19,23H,2-5,7,12H2,1H3
InChIKeyNQAOAMHGUQKFFJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.23
Rot. Bonds8

About 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine

2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine (PubChem CID 174973981) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine.

Molecular Properties

Compound Name2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine
PubChem CID174973981
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine
SMILESCCCCCCCC1C=C(c2ccncc2)C=CN1c1ccccc1
InChIInChI=1S/C23H28N2/c1-2-3-4-5-7-12-23-19-21(20-13-16-24-17-14-20)15-18-25(23)22-10-8-6-9-11-22/h6,8-11,13-19,23H,2-5,7,12H2,1H3
InChIKeyNQAOAMHGUQKFFJ-UHFFFAOYSA-N
XLogP6.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-butyl-2-heptadecyl-3-phenyl-2H-imidazole
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1-heptyl-2-nonyl-3-phenyl-2H-imidazole
CID 69397163
5-octyl-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole
CID 91719392
1,1'-biphenyl;hexadecane
CID 173308514
CID 14934732
CID 14934732
1-bromopentane;4-pyridin-4-ylpyridine
CID 172712078
2-butyl-1-phenyl-3-propyl-2H-imidazole
CID 69395415
dodecylbenzene;pyridine
CID 174718010
1-heptyl-4-pyridin-4-ylpyridin-1-ium;bromide;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine?
The IUPAC name of 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine (CID 174973981) is 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine.
What is the SMILES notation for 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine?
The canonical SMILES for 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine is CCCCCCCC1C=C(c2ccncc2)C=CN1c1ccccc1.
What is the InChIKey of 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine?
The InChIKey is NQAOAMHGUQKFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-3-4-5-7-12-23-19-21(20-13-16-24-17-14-20)15-18-25(23)22-10-8-6-9-11-22/h6,8-11,13-19,23H,2-5,7,12H2,1H3.
What are the key properties of 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine?
2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine has a molecular weight of 332.49 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-phenyl-4-pyridin-4-yl-2H-pyridine is sourced from PubChem (CID 174973981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).