triphenylene

C18H12 — CID 9170

IUPACtriphenylene
SMILESc1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=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
InChIKeySLGBZMMZGDRARJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP5.15
Rot. Bonds

About triphenylene

triphenylene (PubChem CID 9170) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is triphenylene.

Molecular Properties

Compound Nametriphenylene
PubChem CID9170
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Nametriphenylene
SMILESc1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=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
InChIKeySLGBZMMZGDRARJ-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenylene?
The IUPAC name of triphenylene (CID 9170) is triphenylene.
What is the SMILES notation for triphenylene?
The canonical SMILES for triphenylene is c1ccc2c(c1)c1ccccc1c1ccccc21.
What is the InChIKey of triphenylene?
The InChIKey is SLGBZMMZGDRARJ-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of triphenylene?
triphenylene has a molecular weight of 228.29 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylene is sourced from PubChem (CID 9170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).