15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene

C15H11Br — CID 88835357

IUPAC15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESBrC1C=CC=C2C=CC=c3ccccc3=C21
InChIInChI=1S/C15H11Br/c16-14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)15(12)14/h1-10,14H
InChIKeyZEAROYKCSLGPAS-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.45
Rot. Bonds

About 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene

15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 88835357) has the molecular formula C15H11Br and a molecular weight of 271.16 g/mol. Its IUPAC name is 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
PubChem CID88835357
Molecular FormulaC15H11Br
Molecular Weight271.16 g/mol
Exact Mass270.00
IUPAC Name15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESBrC1C=CC=C2C=CC=c3ccccc3=C21
InChIInChI=1S/C15H11Br/c16-14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)15(12)14/h1-10,14H
InChIKeyZEAROYKCSLGPAS-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.45
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 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene (CID 88835357) is 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene is BrC1C=CC=C2C=CC=c3ccccc3=C21.
What is the InChIKey of 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is ZEAROYKCSLGPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br/c16-14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)15(12)14/h1-10,14H.
What are the key properties of 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 271.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromotricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 88835357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).