3-(2-bromophenyl)fluoranthene

C22H13Br — CID 58390376

IUPAC3-(2-bromophenyl)fluoranthene
SMILESBrc1ccccc1-c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C22H13Br/c23-21-11-4-3-8-17(21)16-12-13-20-15-7-2-1-6-14(15)18-9-5-10-19(16)22(18)20/h1-13H
InChIKeyFOEYGCKJQDZGPH-UHFFFAOYSA-N
MW357.25 g/mol
LogP6.92
Rot. Bonds1

About 3-(2-bromophenyl)fluoranthene

3-(2-bromophenyl)fluoranthene (PubChem CID 58390376) has the molecular formula C22H13Br and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)fluoranthene.

Molecular Properties

Compound Name3-(2-bromophenyl)fluoranthene
PubChem CID58390376
Molecular FormulaC22H13Br
Molecular Weight357.25 g/mol
Exact Mass356.02
IUPAC Name3-(2-bromophenyl)fluoranthene
SMILESBrc1ccccc1-c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C22H13Br/c23-21-11-4-3-8-17(21)16-12-13-20-15-7-2-1-6-14(15)18-9-5-10-19(16)22(18)20/h1-13H
InChIKeyFOEYGCKJQDZGPH-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)fluoranthene?
The IUPAC name of 3-(2-bromophenyl)fluoranthene (CID 58390376) is 3-(2-bromophenyl)fluoranthene.
What is the SMILES notation for 3-(2-bromophenyl)fluoranthene?
The canonical SMILES for 3-(2-bromophenyl)fluoranthene is Brc1ccccc1-c1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-(2-bromophenyl)fluoranthene?
The InChIKey is FOEYGCKJQDZGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Br/c23-21-11-4-3-8-17(21)16-12-13-20-15-7-2-1-6-14(15)18-9-5-10-19(16)22(18)20/h1-13H.
What are the key properties of 3-(2-bromophenyl)fluoranthene?
3-(2-bromophenyl)fluoranthene has a molecular weight of 357.25 g/mol, XLogP of 6.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)fluoranthene is sourced from PubChem (CID 58390376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).