2-bromotriphenylene

C18H11Br — CID 18381174

IUPAC2-bromotriphenylene
SMILESBrc1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C18H11Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKeyGEDOYYDMCZUHNW-UHFFFAOYSA-N
MW307.19 g/mol
LogP5.91
Rot. Bonds

About 2-bromotriphenylene

2-bromotriphenylene (PubChem CID 18381174) has the molecular formula C18H11Br and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromotriphenylene.

Molecular Properties

Compound Name2-bromotriphenylene
PubChem CID18381174
Molecular FormulaC18H11Br
Molecular Weight307.19 g/mol
Exact Mass306.00
IUPAC Name2-bromotriphenylene
SMILESBrc1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C18H11Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKeyGEDOYYDMCZUHNW-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.19
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
Naphthacene
CID 7080
Triphenylene
CID 9170
Benzo(c)phenanthrene
CID 9136
2-Bromonaphthalene
CID 11372
9,10-Dibromoanthracene
CID 68226
6-Bromobenzo(a)pyrene
CID 30545
9-Bromomethylanthracene
CID 17019
9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062

Frequently Asked Questions

What is the IUPAC name of 2-bromotriphenylene?
The IUPAC name of 2-bromotriphenylene (CID 18381174) is 2-bromotriphenylene.
What is the SMILES notation for 2-bromotriphenylene?
The canonical SMILES for 2-bromotriphenylene is Brc1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 2-bromotriphenylene?
The InChIKey is GEDOYYDMCZUHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H.
What are the key properties of 2-bromotriphenylene?
2-bromotriphenylene has a molecular weight of 307.19 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromotriphenylene is sourced from PubChem (CID 18381174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).