benzo[k]fluoranthene-7,12-dicarboxylic acid

C22H12O4 — CID 170873622

IUPACbenzo[k]fluoranthene-7,12-dicarboxylic acid
SMILESO=C(O)c1c2c(c(C(=O)O)c3ccccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C22H12O4/c23-21(24)19-12-7-1-2-8-13(12)20(22(25)26)18-15-10-4-6-11-5-3-9-14(16(11)15)17(18)19/h1-10H,(H,23,24)(H,25,26)
InChIKeyWPNQEOUTAQERSS-UHFFFAOYSA-N
MW340.33 g/mol
LogP5.04
Rot. Bonds2

About benzo[k]fluoranthene-7,12-dicarboxylic acid

benzo[k]fluoranthene-7,12-dicarboxylic acid (PubChem CID 170873622) has the molecular formula C22H12O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is benzo[k]fluoranthene-7,12-dicarboxylic acid.

Molecular Properties

Compound Namebenzo[k]fluoranthene-7,12-dicarboxylic acid
PubChem CID170873622
Molecular FormulaC22H12O4
Molecular Weight340.33 g/mol
Exact Mass340.07
IUPAC Namebenzo[k]fluoranthene-7,12-dicarboxylic acid
SMILESO=C(O)c1c2c(c(C(=O)O)c3ccccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C22H12O4/c23-21(24)19-12-7-1-2-8-13(12)20(22(25)26)18-15-10-4-6-11-5-3-9-14(16(11)15)17(18)19/h1-10H,(H,23,24)(H,25,26)
InChIKeyWPNQEOUTAQERSS-UHFFFAOYSA-N
XLogP5.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzo[k]fluoranthene-7,12-dicarboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
CID 67709035
8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
CID 175733393
5,6-diphenylperylene-1,2,3,4-tetracarboxylic acid
CID 88716926
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
CID 174355153
CID 174355153
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
fluoranthene
CID 139203734
acetic acid;perylene
CID 175230474
ethane;fluoranthene;triphenylene
CID 160720447

Frequently Asked Questions

What is the IUPAC name of benzo[k]fluoranthene-7,12-dicarboxylic acid?
The IUPAC name of benzo[k]fluoranthene-7,12-dicarboxylic acid (CID 170873622) is benzo[k]fluoranthene-7,12-dicarboxylic acid.
What is the SMILES notation for benzo[k]fluoranthene-7,12-dicarboxylic acid?
The canonical SMILES for benzo[k]fluoranthene-7,12-dicarboxylic acid is O=C(O)c1c2c(c(C(=O)O)c3ccccc13)-c1cccc3cccc-2c13.
What is the InChIKey of benzo[k]fluoranthene-7,12-dicarboxylic acid?
The InChIKey is WPNQEOUTAQERSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O4/c23-21(24)19-12-7-1-2-8-13(12)20(22(25)26)18-15-10-4-6-11-5-3-9-14(16(11)15)17(18)19/h1-10H,(H,23,24)(H,25,26).
What are the key properties of benzo[k]fluoranthene-7,12-dicarboxylic acid?
benzo[k]fluoranthene-7,12-dicarboxylic acid has a molecular weight of 340.33 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]fluoranthene-7,12-dicarboxylic acid is sourced from PubChem (CID 170873622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).