triphenylene-2,7-diol

C18H12O2 — CID 58078296

IUPACtriphenylene-2,7-diol
SMILESOc1ccc2c3ccc(O)cc3c3ccccc3c2c1
InChIInChI=1S/C18H12O2/c19-11-5-7-15-16-8-6-12(20)10-18(16)14-4-2-1-3-13(14)17(15)9-11/h1-10,19-20H
InChIKeyYXDSQNPTLSHISU-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.56
Rot. Bonds

About triphenylene-2,7-diol

triphenylene-2,7-diol (PubChem CID 58078296) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is triphenylene-2,7-diol.

Molecular Properties

Compound Nametriphenylene-2,7-diol
PubChem CID58078296
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Nametriphenylene-2,7-diol
SMILESOc1ccc2c3ccc(O)cc3c3ccccc3c2c1
InChIInChI=1S/C18H12O2/c19-11-5-7-15-16-8-6-12(20)10-18(16)14-4-2-1-3-13(14)17(15)9-11/h1-10,19-20H
InChIKeyYXDSQNPTLSHISU-UHFFFAOYSA-N
XLogP4.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze triphenylene-2,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triphenylene-2,7-diol?
The IUPAC name of triphenylene-2,7-diol (CID 58078296) is triphenylene-2,7-diol.
What is the SMILES notation for triphenylene-2,7-diol?
The canonical SMILES for triphenylene-2,7-diol is Oc1ccc2c3ccc(O)cc3c3ccccc3c2c1.
What is the InChIKey of triphenylene-2,7-diol?
The InChIKey is YXDSQNPTLSHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c19-11-5-7-15-16-8-6-12(20)10-18(16)14-4-2-1-3-13(14)17(15)9-11/h1-10,19-20H.
What are the key properties of triphenylene-2,7-diol?
triphenylene-2,7-diol has a molecular weight of 260.29 g/mol, XLogP of 4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylene-2,7-diol is sourced from PubChem (CID 58078296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).