benzo[k]fluoranthene-7,12-dicarbonitrile

C22H10N2 — CID 2724992

IUPACbenzo[k]fluoranthene-7,12-dicarbonitrile
SMILESN#Cc1c2c(c(C#N)c3ccccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C22H10N2/c23-11-18-14-7-1-2-8-15(14)19(12-24)22-17-10-4-6-13-5-3-9-16(20(13)17)21(18)22/h1-10H
InChIKeyOIELEHOHWKWREL-UHFFFAOYSA-N
MW302.34 g/mol
LogP5.38
Rot. Bonds

About benzo[k]fluoranthene-7,12-dicarbonitrile

benzo[k]fluoranthene-7,12-dicarbonitrile (PubChem CID 2724992) has the molecular formula C22H10N2 and a molecular weight of 302.34 g/mol. Its IUPAC name is benzo[k]fluoranthene-7,12-dicarbonitrile.

Molecular Properties

Compound Namebenzo[k]fluoranthene-7,12-dicarbonitrile
PubChem CID2724992
Molecular FormulaC22H10N2
Molecular Weight302.34 g/mol
Exact Mass302.08
IUPAC Namebenzo[k]fluoranthene-7,12-dicarbonitrile
SMILESN#Cc1c2c(c(C#N)c3ccccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C22H10N2/c23-11-18-14-7-1-2-8-15(14)19(12-24)22-17-10-4-6-13-5-3-9-16(20(13)17)21(18)22/h1-10H
InChIKeyOIELEHOHWKWREL-UHFFFAOYSA-N
XLogP5.38
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.34
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylcholanthrene
CID 1674
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Benzo(J)Fluoranthene
CID 9152
Cyclopenta(cd)pyrene
CID 33743
Benzo(a)fluoranthene
CID 9146
Dibenzo(a,e)fluoranthene
CID 21480
9-Cyanoanthracene
CID 14586
Benz(j)aceanthrylene
CID 104987
11H-Benzo(a)fluorene
CID 9195

Frequently Asked Questions

What is the IUPAC name of benzo[k]fluoranthene-7,12-dicarbonitrile?
The IUPAC name of benzo[k]fluoranthene-7,12-dicarbonitrile (CID 2724992) is benzo[k]fluoranthene-7,12-dicarbonitrile.
What is the SMILES notation for benzo[k]fluoranthene-7,12-dicarbonitrile?
The canonical SMILES for benzo[k]fluoranthene-7,12-dicarbonitrile is N#Cc1c2c(c(C#N)c3ccccc13)-c1cccc3cccc-2c13.
What is the InChIKey of benzo[k]fluoranthene-7,12-dicarbonitrile?
The InChIKey is OIELEHOHWKWREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N2/c23-11-18-14-7-1-2-8-15(14)19(12-24)22-17-10-4-6-13-5-3-9-16(20(13)17)21(18)22/h1-10H.
What are the key properties of benzo[k]fluoranthene-7,12-dicarbonitrile?
benzo[k]fluoranthene-7,12-dicarbonitrile has a molecular weight of 302.34 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]fluoranthene-7,12-dicarbonitrile is sourced from PubChem (CID 2724992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).