5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C16H14Br2 — CID 5200652

IUPAC5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESBrc1cc2ccc1CCc1ccc(c(Br)c1)CC2
InChIInChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyQDMAXRJHDMKTQH-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.10
Rot. Bonds

About 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 5200652) has the molecular formula C16H14Br2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID5200652
Molecular FormulaC16H14Br2
Molecular Weight366.10 g/mol
Exact Mass363.95
IUPAC Name5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESBrc1cc2ccc1CCc1ccc(c(Br)c1)CC2
InChIInChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyQDMAXRJHDMKTQH-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene 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 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 5200652) is 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is Brc1cc2ccc1CCc1ccc(c(Br)c1)CC2.
What is the InChIKey of 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is QDMAXRJHDMKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 366.10 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 5200652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).