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Triphenylene

CAT: 0013-GTR19248320-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248320-02Size:500 mg
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Description
Triphenylene is a flat polycyclic aromatic hydrocarbon (PAH) commonly used in the synthesis of MOF and COF, capable of generating active metabolites via cytochrome P450.
CAS Number
217-59-4
Smiles
C=1C=CC=2C (C1) =C3C=CC=CC3=C4C=CC=CC24
Molecular Formula
C18H12
Molecular Weight
228.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triphenylene

Triphenylene is an ortho-fused polycyclic arene consisting of four fused benzene rings.

CAS Number217-59-4
PubChem CID9170
IUPAC Nametriphenylene
Molecular FormulaC18H12
Molecular Weight228.3
XLogP4.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity217
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
InChIKey
SLGBZMMZGDRARJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triphenylene
CAS: 217-59-4
CID: 9170
Formula: C18H12
MW: 228.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass228.093900383
Monoisotopic Mass228.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity217
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

Alternative Products

CatalogName
HY-W017708-01Triphenylene
TRC-T900898-50MGTriphenylene-d12
S-3764Triphenylene - 1ML
RG-D090226-01Benzo[B]Triphenylene
1384206-43-2-012- (4-CHLOROPHENYL) TRIPHENYLENE
OR1079161-012- (4-Bromophenyl) triphenylene
2307216-62-0-012- (2-chlorophenyl) triphenylene
OR1080456-01Triphenylene-2-carboxylic acid
OR51010-012- (3-Bromophenyl) triphenylene
JH916216Triphenylene, 2-bromo-3-chloro-

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