Compound Identification
SMILES
[Fe++].[CH]1[CH][CH][CH][CH]1.O=C([C]1[CH][CH][CH][CH]1)N1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C8=C8C%10=C%15C%16=C%17C(C%13=C%13C%18=C%12C%12=C%11C%11=C9C6=C6C%11=C9C%12=C%11C%18=C%12C%13=C%17C%13=C%16C%16=C(C%17=C%13C%12=C%12C%11=C9C(=C46)C2=C%17%12)C3(C1C1=CSC(S1)=C1SC=CS1)C1=C%16C%15=C8C7=C51)=C%14%10
InChIKey
InChIKey=XQQHWYMAFUOUPU-UHFFFAOYSA-N
Formula
C79H15FeNOS4
Mass
1178.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
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Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Triphenylenes
Intermediate Tree Nodes
Not available
Direct Parent
Triphenylenes
Alternative Parents
Chrysenes Naphthalenes Isoindolines N-acylpyrrolidines 1,3-dithioles Tertiary carboxylic acid amides Thioenol ethers Azacyclic compounds Cycloalkenes Organic transition metal salts Organonitrogen compounds Hydrocarbon derivatives Unsaturated aliphatic hydrocarbons Organopnictogen compounds Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Chrysene - Triphenylene - Naphthalene - Isoindoline - Isoindole or derivatives - N-acylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - 1,3-dithiole - Dithiole - Carboxamide group - Thioenolether - Carboxylic acid derivative - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Cyclic olefin - Cycloalkene - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Olefin - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Hydrocarbon - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
External Descriptors
Not available