benzo[k]fluoranthene

C20H12 — CID 9158

IUPACbenzo[k]fluoranthene
SMILESc1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
InChIKeyHAXBIWFMXWRORI-UHFFFAOYSA-N
MW252.32 g/mol
LogP5.64
Rot. Bonds

About benzo[k]fluoranthene

benzo[k]fluoranthene (PubChem CID 9158) has the molecular formula C20H12 and a molecular weight of 252.32 g/mol. Its IUPAC name is benzo[k]fluoranthene.

Molecular Properties

Compound Namebenzo[k]fluoranthene
PubChem CID9158
Molecular FormulaC20H12
Molecular Weight252.32 g/mol
Exact Mass252.09
IUPAC Namebenzo[k]fluoranthene
SMILESc1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
InChIKeyHAXBIWFMXWRORI-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.32
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzo[k]fluoranthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzo[k]fluoranthene?
The IUPAC name of benzo[k]fluoranthene (CID 9158) is benzo[k]fluoranthene.
What is the SMILES notation for benzo[k]fluoranthene?
The canonical SMILES for benzo[k]fluoranthene is c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of benzo[k]fluoranthene?
The InChIKey is HAXBIWFMXWRORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H.
What are the key properties of benzo[k]fluoranthene?
benzo[k]fluoranthene has a molecular weight of 252.32 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]fluoranthene is sourced from PubChem (CID 9158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).