phenanthren-2-yl(phenyl)methanone

C21H14O — CID 131857195

IUPACphenanthren-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C21H14O/c22-21(16-7-2-1-3-8-16)18-12-13-20-17(14-18)11-10-15-6-4-5-9-19(15)20/h1-14H
InChIKeyNGEJPDBAYGQAPM-UHFFFAOYSA-N
MW282.34 g/mol
LogP5.22
Rot. Bonds2

About phenanthren-2-yl(phenyl)methanone

phenanthren-2-yl(phenyl)methanone (PubChem CID 131857195) has the molecular formula C21H14O and a molecular weight of 282.34 g/mol. Its IUPAC name is phenanthren-2-yl(phenyl)methanone.

Molecular Properties

Compound Namephenanthren-2-yl(phenyl)methanone
PubChem CID131857195
Molecular FormulaC21H14O
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Namephenanthren-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C21H14O/c22-21(16-7-2-1-3-8-16)18-12-13-20-17(14-18)11-10-15-6-4-5-9-19(15)20/h1-14H
InChIKeyNGEJPDBAYGQAPM-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 55.22
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

naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
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anthracene;diphenylmethanone
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phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
phenanthren-2-yl-[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]methanone
CID 7195847
diphenylmethanone
CID 3102
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phenyl-(4-pyren-1-ylphenyl)methanone
CID 102198939
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Frequently Asked Questions

What is the IUPAC name of phenanthren-2-yl(phenyl)methanone?
The IUPAC name of phenanthren-2-yl(phenyl)methanone (CID 131857195) is phenanthren-2-yl(phenyl)methanone.
What is the SMILES notation for phenanthren-2-yl(phenyl)methanone?
The canonical SMILES for phenanthren-2-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of phenanthren-2-yl(phenyl)methanone?
The InChIKey is NGEJPDBAYGQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O/c22-21(16-7-2-1-3-8-16)18-12-13-20-17(14-18)11-10-15-6-4-5-9-19(15)20/h1-14H.
What are the key properties of phenanthren-2-yl(phenyl)methanone?
phenanthren-2-yl(phenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-2-yl(phenyl)methanone is sourced from PubChem (CID 131857195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).