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Phenanthridine

CAT: 0127-OR1014609-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1014609-02Size:250 mg
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CAS Number
229-87-8
MDL Number
MFCD00004989
Purity
98%
Smiles
C1ccc2c(c1)cnc3ccccc23

Chemical Information

Phenanthridine

Phenanthridine is an azaarene that is the 9-aza derivative of phenanthrene. The parent of the class of phenanthridines. It is a mancude organic heterotricyclic parent, a polycyclic heteroarene, an azaarene and a member of phenanthridines.

CAS Number229-87-8
PubChem CID9189
IUPAC Namephenanthridine
Molecular FormulaC13H9N
Molecular Weight179.22
XLogP3.5
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
C1=CC=C2C(=C1)C=NC3=CC=CC=C23
InChI
InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
InChIKey
RDOWQLZANAYVLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenanthridine
CAS: 229-87-8
CID: 9189
Formula: C13H9N
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass179.073499291
Monoisotopic Mass179.073499291
Topological Polar Surface Area12.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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QBA48436-016- (Chloromethyl) phenanthridine
MBS6099642-013,8-Dinitro-6-phenyl-phenanthridine ()
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