2,3-dibromotriphenylene

C18H10Br2 — CID 164807175

IUPAC2,3-dibromotriphenylene
SMILESBrc1cc2c3ccccc3c3ccccc3c2cc1Br
InChIInChI=1S/C18H10Br2/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H
InChIKeyGIEPTXSZWZAEJT-UHFFFAOYSA-N
MW386.09 g/mol
LogP6.67
Rot. Bonds

About 2,3-dibromotriphenylene

2,3-dibromotriphenylene (PubChem CID 164807175) has the molecular formula C18H10Br2 and a molecular weight of 386.09 g/mol. Its IUPAC name is 2,3-dibromotriphenylene.

Molecular Properties

Compound Name2,3-dibromotriphenylene
PubChem CID164807175
Molecular FormulaC18H10Br2
Molecular Weight386.09 g/mol
Exact Mass383.91
IUPAC Name2,3-dibromotriphenylene
SMILESBrc1cc2c3ccccc3c3ccccc3c2cc1Br
InChIInChI=1S/C18H10Br2/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H
InChIKeyGIEPTXSZWZAEJT-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.09
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dibromotriphenylene 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 2,3-dibromotriphenylene?
The IUPAC name of 2,3-dibromotriphenylene (CID 164807175) is 2,3-dibromotriphenylene.
What is the SMILES notation for 2,3-dibromotriphenylene?
The canonical SMILES for 2,3-dibromotriphenylene is Brc1cc2c3ccccc3c3ccccc3c2cc1Br.
What is the InChIKey of 2,3-dibromotriphenylene?
The InChIKey is GIEPTXSZWZAEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H.
What are the key properties of 2,3-dibromotriphenylene?
2,3-dibromotriphenylene has a molecular weight of 386.09 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromotriphenylene is sourced from PubChem (CID 164807175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).