9-methylbenzo[k]fluoranthene

C21H14 — CID 13440502

IUPAC9-methylbenzo[k]fluoranthene
SMILESCc1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C21H14/c1-13-8-9-15-11-19-17-6-2-4-14-5-3-7-18(21(14)17)20(19)12-16(15)10-13/h2-12H,1H3
InChIKeyNJAFVWDEOZWHEK-UHFFFAOYSA-N
MW266.34 g/mol
LogP5.95
Rot. Bonds

About 9-methylbenzo[k]fluoranthene

9-methylbenzo[k]fluoranthene (PubChem CID 13440502) has the molecular formula C21H14 and a molecular weight of 266.34 g/mol. Its IUPAC name is 9-methylbenzo[k]fluoranthene.

Molecular Properties

Compound Name9-methylbenzo[k]fluoranthene
PubChem CID13440502
Molecular FormulaC21H14
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name9-methylbenzo[k]fluoranthene
SMILESCc1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C21H14/c1-13-8-9-15-11-19-17-6-2-4-14-5-3-7-18(21(14)17)20(19)12-16(15)10-13/h2-12H,1H3
InChIKeyNJAFVWDEOZWHEK-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-methylbenzo[k]fluoranthene?
The IUPAC name of 9-methylbenzo[k]fluoranthene (CID 13440502) is 9-methylbenzo[k]fluoranthene.
What is the SMILES notation for 9-methylbenzo[k]fluoranthene?
The canonical SMILES for 9-methylbenzo[k]fluoranthene is Cc1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of 9-methylbenzo[k]fluoranthene?
The InChIKey is NJAFVWDEOZWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14/c1-13-8-9-15-11-19-17-6-2-4-14-5-3-7-18(21(14)17)20(19)12-16(15)10-13/h2-12H,1H3.
What are the key properties of 9-methylbenzo[k]fluoranthene?
9-methylbenzo[k]fluoranthene has a molecular weight of 266.34 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylbenzo[k]fluoranthene is sourced from PubChem (CID 13440502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).