1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile

C22H16N2 — CID 139203251

IUPAC1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile
SMILESCc1ccc2ccc(C)c3c2c1-c1c(C)c(C#N)c(C#N)c(C)c1-3
InChIInChI=1S/C22H16N2/c1-11-5-7-15-8-6-12(2)19-21-14(4)17(10-24)16(9-23)13(3)20(21)18(11)22(15)19/h5-8H,1-4H3
InChIKeyCHNQFWVFHYJIEI-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.46
Rot. Bonds

About 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile

1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile (PubChem CID 139203251) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile.

Molecular Properties

Compound Name1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile
PubChem CID139203251
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile
SMILESCc1ccc2ccc(C)c3c2c1-c1c(C)c(C#N)c(C#N)c(C)c1-3
InChIInChI=1S/C22H16N2/c1-11-5-7-15-8-6-12(2)19-21-14(4)17(10-24)16(9-23)13(3)20(21)18(11)22(15)19/h5-8H,1-4H3
InChIKeyCHNQFWVFHYJIEI-UHFFFAOYSA-N
XLogP5.46
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene
CID 11813781
CID 20574287
CID 20574287
2,6-diamino-3-methylbenzonitrile
CID 19079945
2,3-dimethyl-6-sulfanylbenzonitrile
CID 171015885
6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
CID 142316299
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;2,3,4,5-tetramethyl-6-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile)
CID 161284975
2-methylanthracene-1-carbonitrile
CID 22743920
3-amino-2-hydroxy-6-methylbenzonitrile
CID 21184585
5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium
CID 164593271
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351
3-amino-2-fluoro-6-methylbenzonitrile
CID 83410294

Frequently Asked Questions

What is the IUPAC name of 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile?
The IUPAC name of 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile (CID 139203251) is 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile.
What is the SMILES notation for 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile?
The canonical SMILES for 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile is Cc1ccc2ccc(C)c3c2c1-c1c(C)c(C#N)c(C#N)c(C)c1-3.
What is the InChIKey of 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile?
The InChIKey is CHNQFWVFHYJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-11-5-7-15-8-6-12(2)19-21-14(4)17(10-24)16(9-23)13(3)20(21)18(11)22(15)19/h5-8H,1-4H3.
What are the key properties of 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile?
1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile has a molecular weight of 308.38 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile is sourced from PubChem (CID 139203251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).