2-(6-naphthalen-2-ylpyren-1-yl)pyridine

C31H19N — CID 118652991

IUPAC2-(6-naphthalen-2-ylpyren-1-yl)pyridine
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc6ccccc6c5)ccc5ccc2c3c54)nc1
InChIInChI=1S/C31H19N/c1-2-6-23-19-24(9-8-20(23)5-1)25-14-10-21-13-17-28-26(29-7-3-4-18-32-29)15-11-22-12-16-27(25)30(21)31(22)28/h1-19H
InChIKeyUXGAEDIWHIBYDA-UHFFFAOYSA-N
MW405.50 g/mol
LogP8.47
Rot. Bonds2

About 2-(6-naphthalen-2-ylpyren-1-yl)pyridine

2-(6-naphthalen-2-ylpyren-1-yl)pyridine (PubChem CID 118652991) has the molecular formula C31H19N and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(6-naphthalen-2-ylpyren-1-yl)pyridine.

Molecular Properties

Compound Name2-(6-naphthalen-2-ylpyren-1-yl)pyridine
PubChem CID118652991
Molecular FormulaC31H19N
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-(6-naphthalen-2-ylpyren-1-yl)pyridine
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc6ccccc6c5)ccc5ccc2c3c54)nc1
InChIInChI=1S/C31H19N/c1-2-6-23-19-24(9-8-20(23)5-1)25-14-10-21-13-17-28-26(29-7-3-4-18-32-29)15-11-22-12-16-27(25)30(21)31(22)28/h1-19H
InChIKeyUXGAEDIWHIBYDA-UHFFFAOYSA-N
XLogP8.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 58.47
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

6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033
3-[6-(4,5-diphenyl-1,2,4-triazol-3-yl)pyren-1-yl]-4,5-diphenyl-1,2,4-triazole;2-[6-(4,5-diphenyl-1,2,4-triazol-3-yl)pyren-1-yl]pyridine;3-(6-naphthalen-2-ylpyren-1-yl)-4,5-diphenyl-1,2,4-triazole
CID 162088140
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 134167551
3,7-bis(6-naphthalen-2-ylpyren-1-yl)dibenzothiophene
CID 59758560
4-naphthalen-2-yl-1,6-diphenylpyrene
CID 167335387
2-(7-ethenyl-6-methylidenephenalen-1-yl)pyridine
CID 143486384
osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
CID 170925486
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-2-ylpyren-1-yl)pyridine?
The IUPAC name of 2-(6-naphthalen-2-ylpyren-1-yl)pyridine (CID 118652991) is 2-(6-naphthalen-2-ylpyren-1-yl)pyridine.
What is the SMILES notation for 2-(6-naphthalen-2-ylpyren-1-yl)pyridine?
The canonical SMILES for 2-(6-naphthalen-2-ylpyren-1-yl)pyridine is c1ccc(-c2ccc3ccc4c(-c5ccc6ccccc6c5)ccc5ccc2c3c54)nc1.
What is the InChIKey of 2-(6-naphthalen-2-ylpyren-1-yl)pyridine?
The InChIKey is UXGAEDIWHIBYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N/c1-2-6-23-19-24(9-8-20(23)5-1)25-14-10-21-13-17-28-26(29-7-3-4-18-32-29)15-11-22-12-16-27(25)30(21)31(22)28/h1-19H.
What are the key properties of 2-(6-naphthalen-2-ylpyren-1-yl)pyridine?
2-(6-naphthalen-2-ylpyren-1-yl)pyridine has a molecular weight of 405.50 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-2-ylpyren-1-yl)pyridine is sourced from PubChem (CID 118652991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).