6-bromobenzo[k]fluoranthene

C20H11Br — CID 86073860

IUPAC6-bromobenzo[k]fluoranthene
SMILESBrc1ccc2cccc3c2c1-c1cc2ccccc2cc1-3
InChIInChI=1S/C20H11Br/c21-18-9-8-12-6-3-7-15-16-10-13-4-1-2-5-14(13)11-17(16)20(18)19(12)15/h1-11H
InChIKeySPWQTZLXBAAIMM-UHFFFAOYSA-N
MW331.21 g/mol
LogP6.40
Rot. Bonds

About 6-bromobenzo[k]fluoranthene

6-bromobenzo[k]fluoranthene (PubChem CID 86073860) has the molecular formula C20H11Br and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-bromobenzo[k]fluoranthene.

Molecular Properties

Compound Name6-bromobenzo[k]fluoranthene
PubChem CID86073860
Molecular FormulaC20H11Br
Molecular Weight331.21 g/mol
Exact Mass330.00
IUPAC Name6-bromobenzo[k]fluoranthene
SMILESBrc1ccc2cccc3c2c1-c1cc2ccccc2cc1-3
InChIInChI=1S/C20H11Br/c21-18-9-8-12-6-3-7-15-16-10-13-4-1-2-5-14(13)11-17(16)20(18)19(12)15/h1-11H
InChIKeySPWQTZLXBAAIMM-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromobenzo[k]fluoranthene?
The IUPAC name of 6-bromobenzo[k]fluoranthene (CID 86073860) is 6-bromobenzo[k]fluoranthene.
What is the SMILES notation for 6-bromobenzo[k]fluoranthene?
The canonical SMILES for 6-bromobenzo[k]fluoranthene is Brc1ccc2cccc3c2c1-c1cc2ccccc2cc1-3.
What is the InChIKey of 6-bromobenzo[k]fluoranthene?
The InChIKey is SPWQTZLXBAAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br/c21-18-9-8-12-6-3-7-15-16-10-13-4-1-2-5-14(13)11-17(16)20(18)19(12)15/h1-11H.
What are the key properties of 6-bromobenzo[k]fluoranthene?
6-bromobenzo[k]fluoranthene has a molecular weight of 331.21 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromobenzo[k]fluoranthene is sourced from PubChem (CID 86073860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).