phenanthren-9-yl(pyridin-2-yl)methanone

C20H13NO — CID 601034

IUPACphenanthren-9-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C20H13NO/c22-20(19-11-5-6-12-21-19)18-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18/h1-13H
InChIKeyZHCLQKXOGZODPK-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.62
Rot. Bonds2

About phenanthren-9-yl(pyridin-2-yl)methanone

phenanthren-9-yl(pyridin-2-yl)methanone (PubChem CID 601034) has the molecular formula C20H13NO and a molecular weight of 283.33 g/mol. Its IUPAC name is phenanthren-9-yl(pyridin-2-yl)methanone.

Molecular Properties

Compound Namephenanthren-9-yl(pyridin-2-yl)methanone
PubChem CID601034
Molecular FormulaC20H13NO
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC Namephenanthren-9-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C20H13NO/c22-20(19-11-5-6-12-21-19)18-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18/h1-13H
InChIKeyZHCLQKXOGZODPK-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.62
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

Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
Jwh 307
CID 16049783
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
2-Benzoylpyridine
CID 7038
7H-Naphtho(1,2,3-ij)(2,7)naphthyridin-7-one
CID 387195
Jwh-368
CID 44418331
10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone
CID 656732
(5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418355
2-Pyridyl(2-quinolyl)methanone
CID 2817968
N'-[1-(2-pyridinyl)ethylidene]-1-naphthohydrazide
CID 9618012
naphthalen-1-yl(1-pentyl-5-phenyl-1H-pyrrol-3-yl)methanone
CID 44418304

Frequently Asked Questions

What is the IUPAC name of phenanthren-9-yl(pyridin-2-yl)methanone?
The IUPAC name of phenanthren-9-yl(pyridin-2-yl)methanone (CID 601034) is phenanthren-9-yl(pyridin-2-yl)methanone.
What is the SMILES notation for phenanthren-9-yl(pyridin-2-yl)methanone?
The canonical SMILES for phenanthren-9-yl(pyridin-2-yl)methanone is O=C(c1ccccn1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of phenanthren-9-yl(pyridin-2-yl)methanone?
The InChIKey is ZHCLQKXOGZODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO/c22-20(19-11-5-6-12-21-19)18-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18/h1-13H.
What are the key properties of phenanthren-9-yl(pyridin-2-yl)methanone?
phenanthren-9-yl(pyridin-2-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-9-yl(pyridin-2-yl)methanone is sourced from PubChem (CID 601034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).