9,10-dibromo-2-tert-butylanthracene

C18H16Br2 — CID 4126610

IUPAC9,10-dibromo-2-tert-butylanthracene
SMILESCC(C)(C)c1ccc2c(Br)c3ccccc3c(Br)c2c1
InChIInChI=1S/C18H16Br2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3
InChIKeyBWFOVZDGMFZPFX-UHFFFAOYSA-N
MW392.13 g/mol
LogP6.82
Rot. Bonds

About 9,10-dibromo-2-tert-butylanthracene

9,10-dibromo-2-tert-butylanthracene (PubChem CID 4126610) has the molecular formula C18H16Br2 and a molecular weight of 392.13 g/mol. Its IUPAC name is 9,10-dibromo-2-tert-butylanthracene.

Molecular Properties

Compound Name9,10-dibromo-2-tert-butylanthracene
PubChem CID4126610
Molecular FormulaC18H16Br2
Molecular Weight392.13 g/mol
Exact Mass389.96
IUPAC Name9,10-dibromo-2-tert-butylanthracene
SMILESCC(C)(C)c1ccc2c(Br)c3ccccc3c(Br)c2c1
InChIInChI=1S/C18H16Br2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3
InChIKeyBWFOVZDGMFZPFX-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.13
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-dibromo-2-tert-butylanthracene 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 9,10-dibromo-2-tert-butylanthracene?
The IUPAC name of 9,10-dibromo-2-tert-butylanthracene (CID 4126610) is 9,10-dibromo-2-tert-butylanthracene.
What is the SMILES notation for 9,10-dibromo-2-tert-butylanthracene?
The canonical SMILES for 9,10-dibromo-2-tert-butylanthracene is CC(C)(C)c1ccc2c(Br)c3ccccc3c(Br)c2c1.
What is the InChIKey of 9,10-dibromo-2-tert-butylanthracene?
The InChIKey is BWFOVZDGMFZPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3.
What are the key properties of 9,10-dibromo-2-tert-butylanthracene?
9,10-dibromo-2-tert-butylanthracene has a molecular weight of 392.13 g/mol, XLogP of 6.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromo-2-tert-butylanthracene is sourced from PubChem (CID 4126610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).