1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone

C21H17NO — CID 123486663

IUPAC1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone
SMILESO=C(CN1C=CC=CC1)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C21H17NO/c23-21(15-22-12-4-1-5-13-22)18-10-11-20-17(14-18)9-8-16-6-2-3-7-19(16)20/h1-12,14H,13,15H2
InChIKeyQGNHKDYLWADEOP-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.56
Rot. Bonds3

About 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone

1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone (PubChem CID 123486663) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone
PubChem CID123486663
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone
SMILESO=C(CN1C=CC=CC1)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C21H17NO/c23-21(15-22-12-4-1-5-13-22)18-10-11-20-17(14-18)9-8-16-6-2-3-7-19(16)20/h1-12,14H,13,15H2
InChIKeyQGNHKDYLWADEOP-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate
CID 162307739
2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone
CID 71401250
phenanthren-2-yl(phenyl)methanone
CID 131857195
5-oxo-5-phenanthren-2-yl-3-phenylpentanal
CID 89077134
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-(2-methylpyridin-1-ium-1-yl)-1-phenanthren-2-ylethanone bromide
CID 17372803
cyclopenta-1,3-diene;phenanthrene
CID 159923928
(Z)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one
CID 92909364
3-(1-methylpyridin-1-ium-4-yl)-1,5-dinaphthalen-2-ylpentane-1,5-dione tetrafluoroborate
CID 62707027
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286

Frequently Asked Questions

What is the IUPAC name of 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone (CID 123486663) is 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone is O=C(CN1C=CC=CC1)c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone?
The InChIKey is QGNHKDYLWADEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c23-21(15-22-12-4-1-5-13-22)18-10-11-20-17(14-18)9-8-16-6-2-3-7-19(16)20/h1-12,14H,13,15H2.
What are the key properties of 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone?
1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-2-yl-2-(2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 123486663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).