2,3-dibromo-9,10-dimethylanthracene

C16H12Br2 — CID 13008114

IUPAC2,3-dibromo-9,10-dimethylanthracene
SMILESCc1c2ccccc2c(C)c2cc(Br)c(Br)cc12
InChIInChI=1S/C16H12Br2/c1-9-11-5-3-4-6-12(11)10(2)14-8-16(18)15(17)7-13(9)14/h3-8H,1-2H3
InChIKeySZXGVNLNLJYVNI-UHFFFAOYSA-N
MW364.08 g/mol
LogP6.13
Rot. Bonds

About 2,3-dibromo-9,10-dimethylanthracene

2,3-dibromo-9,10-dimethylanthracene (PubChem CID 13008114) has the molecular formula C16H12Br2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 2,3-dibromo-9,10-dimethylanthracene.

Molecular Properties

Compound Name2,3-dibromo-9,10-dimethylanthracene
PubChem CID13008114
Molecular FormulaC16H12Br2
Molecular Weight364.08 g/mol
Exact Mass361.93
IUPAC Name2,3-dibromo-9,10-dimethylanthracene
SMILESCc1c2ccccc2c(C)c2cc(Br)c(Br)cc12
InChIInChI=1S/C16H12Br2/c1-9-11-5-3-4-6-12(11)10(2)14-8-16(18)15(17)7-13(9)14/h3-8H,1-2H3
InChIKeySZXGVNLNLJYVNI-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,3-dibromo-9,10-dimethylanthracene 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-dibromo-9,10-dimethylanthracene?
The IUPAC name of 2,3-dibromo-9,10-dimethylanthracene (CID 13008114) is 2,3-dibromo-9,10-dimethylanthracene.
What is the SMILES notation for 2,3-dibromo-9,10-dimethylanthracene?
The canonical SMILES for 2,3-dibromo-9,10-dimethylanthracene is Cc1c2ccccc2c(C)c2cc(Br)c(Br)cc12.
What is the InChIKey of 2,3-dibromo-9,10-dimethylanthracene?
The InChIKey is SZXGVNLNLJYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2/c1-9-11-5-3-4-6-12(11)10(2)14-8-16(18)15(17)7-13(9)14/h3-8H,1-2H3.
What are the key properties of 2,3-dibromo-9,10-dimethylanthracene?
2,3-dibromo-9,10-dimethylanthracene has a molecular weight of 364.08 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-9,10-dimethylanthracene is sourced from PubChem (CID 13008114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).