3-pyren-1-ylpyridine

C21H13N — CID 58924967

IUPAC3-pyren-1-ylpyridine
SMILESc1cncc(-c2ccc3ccc4cccc5ccc2c3c45)c1
InChIInChI=1S/C21H13N/c1-3-14-6-7-16-8-10-18(17-5-2-12-22-13-17)19-11-9-15(4-1)20(14)21(16)19/h1-13H
InChIKeyGHIZGIXPVHCHFA-UHFFFAOYSA-N
MW279.34 g/mol
LogP5.65
Rot. Bonds1

About 3-pyren-1-ylpyridine

3-pyren-1-ylpyridine (PubChem CID 58924967) has the molecular formula C21H13N and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-pyren-1-ylpyridine.

Molecular Properties

Compound Name3-pyren-1-ylpyridine
PubChem CID58924967
Molecular FormulaC21H13N
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Name3-pyren-1-ylpyridine
SMILESc1cncc(-c2ccc3ccc4cccc5ccc2c3c45)c1
InChIInChI=1S/C21H13N/c1-3-14-6-7-16-8-10-18(17-5-2-12-22-13-17)19-11-9-15(4-1)20(14)21(16)19/h1-13H
InChIKeyGHIZGIXPVHCHFA-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.34
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-6-(4-pyren-1-ylphenyl)-2-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine
CID 130263623
2-(4-naphthalen-1-ylphenyl)-4-(4-pyren-1-ylphenyl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264883
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263014
(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 144553772
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
CID 144553841
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
4-(4-fluorophenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264766
5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine
CID 102448459
4-phenyl-2-[3-(6-phenylpyren-1-yl)phenyl]-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 118313945
4-(4-fluorophenyl)-6-pyren-1-yl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264047
2-[3-(6-phenylpyren-1-yl)phenyl]-4-pyridin-3-yl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 118314046
1,8-di(pyren-1-yl)pyrene
CID 58915622

Frequently Asked Questions

What is the IUPAC name of 3-pyren-1-ylpyridine?
The IUPAC name of 3-pyren-1-ylpyridine (CID 58924967) is 3-pyren-1-ylpyridine.
What is the SMILES notation for 3-pyren-1-ylpyridine?
The canonical SMILES for 3-pyren-1-ylpyridine is c1cncc(-c2ccc3ccc4cccc5ccc2c3c45)c1.
What is the InChIKey of 3-pyren-1-ylpyridine?
The InChIKey is GHIZGIXPVHCHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N/c1-3-14-6-7-16-8-10-18(17-5-2-12-22-13-17)19-11-9-15(4-1)20(14)21(16)19/h1-13H.
What are the key properties of 3-pyren-1-ylpyridine?
3-pyren-1-ylpyridine has a molecular weight of 279.34 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyren-1-ylpyridine is sourced from PubChem (CID 58924967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).