(4-naphthalen-1-ylphenyl) nitrite

C16H11NO2 — CID 87503734

IUPAC(4-naphthalen-1-ylphenyl) nitrite
SMILESO=NOc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C16H11NO2/c18-17-19-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyAMMHZDKZORQHAR-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.57
Rot. Bonds3

About (4-naphthalen-1-ylphenyl) nitrite

(4-naphthalen-1-ylphenyl) nitrite (PubChem CID 87503734) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4-naphthalen-1-ylphenyl) nitrite.

Molecular Properties

Compound Name(4-naphthalen-1-ylphenyl) nitrite
PubChem CID87503734
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name(4-naphthalen-1-ylphenyl) nitrite
SMILESO=NOc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C16H11NO2/c18-17-19-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyAMMHZDKZORQHAR-UHFFFAOYSA-N
XLogP4.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
1-(4-isocyanatophenyl)naphthalene
CID 169352186
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
2-naphthalen-1-ylanthracene
CID 2748705
4-naphthalen-1-ylbenzoic acid
CID 2760151
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823
magnesium;1-phenylnaphthalene;bromide
CID 58193913
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
CID 177379160
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541

Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-1-ylphenyl) nitrite?
The IUPAC name of (4-naphthalen-1-ylphenyl) nitrite (CID 87503734) is (4-naphthalen-1-ylphenyl) nitrite.
What is the SMILES notation for (4-naphthalen-1-ylphenyl) nitrite?
The canonical SMILES for (4-naphthalen-1-ylphenyl) nitrite is O=NOc1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of (4-naphthalen-1-ylphenyl) nitrite?
The InChIKey is AMMHZDKZORQHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-17-19-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H.
What are the key properties of (4-naphthalen-1-ylphenyl) nitrite?
(4-naphthalen-1-ylphenyl) nitrite has a molecular weight of 249.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-1-ylphenyl) nitrite is sourced from PubChem (CID 87503734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).