14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene

C15H12Br2 — CID 87107804

IUPAC14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene
SMILESBrC1CC=C2C=CC=c3ccccc3=C2C1Br
InChIInChI=1S/C15H12Br2/c16-13-9-8-11-6-3-5-10-4-1-2-7-12(10)14(11)15(13)17/h1-8,13,15H,9H2
InChIKeyOZZCJKIWRVXJMG-UHFFFAOYSA-N
MW352.07 g/mol
LogP3.04
Rot. Bonds

About 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene

14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene (PubChem CID 87107804) has the molecular formula C15H12Br2 and a molecular weight of 352.07 g/mol. Its IUPAC name is 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene
PubChem CID87107804
Molecular FormulaC15H12Br2
Molecular Weight352.07 g/mol
Exact Mass349.93
IUPAC Name14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene
SMILESBrC1CC=C2C=CC=c3ccccc3=C2C1Br
InChIInChI=1S/C15H12Br2/c16-13-9-8-11-6-3-5-10-4-1-2-7-12(10)14(11)15(13)17/h1-8,13,15H,9H2
InChIKeyOZZCJKIWRVXJMG-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene?
The IUPAC name of 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene (CID 87107804) is 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene is BrC1CC=C2C=CC=c3ccccc3=C2C1Br.
What is the InChIKey of 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene?
The InChIKey is OZZCJKIWRVXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2/c16-13-9-8-11-6-3-5-10-4-1-2-7-12(10)14(11)15(13)17/h1-8,13,15H,9H2.
What are the key properties of 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene?
14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene has a molecular weight of 352.07 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dibromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 87107804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).