2,3,6-trimethylnaphthalene-1,4-dicarbonitrile

C15H12N2 — CID 101223785

IUPAC2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
SMILESCc1ccc2c(C#N)c(C)c(C)c(C#N)c2c1
InChIInChI=1S/C15H12N2/c1-9-4-5-12-13(6-9)15(8-17)11(3)10(2)14(12)7-16/h4-6H,1-3H3
InChIKeyWTDXOVSLVBBKCC-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.51
Rot. Bonds

About 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile

2,3,6-trimethylnaphthalene-1,4-dicarbonitrile (PubChem CID 101223785) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
PubChem CID101223785
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
SMILESCc1ccc2c(C#N)c(C)c(C)c(C#N)c2c1
InChIInChI=1S/C15H12N2/c1-9-4-5-12-13(6-9)15(8-17)11(3)10(2)14(12)7-16/h4-6H,1-3H3
InChIKeyWTDXOVSLVBBKCC-UHFFFAOYSA-N
XLogP3.51
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
CID 142090428
1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile
CID 11616030
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
2,5-dimethyl-1-benzothiophene-3-carbonitrile
CID 84739601
10-(3-methylphenyl)anthracene-9-carbonitrile
CID 170561667
10-methylanthracene-9-carbonitrile
CID 12617916
2-chloro-1,6-dimethylindole-3-carbonitrile
CID 82269620
2-amino-1,5-dimethylindole-3-carbonitrile
CID 21025755
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
sodium 3-cyano-7-methyl-2-oxochromen-4-olate
CID 90675185
3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile
CID 153408215
2,6-diiodoanthracene-9,10-dicarbonitrile
CID 132838305

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile?
The IUPAC name of 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile (CID 101223785) is 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile?
The canonical SMILES for 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile is Cc1ccc2c(C#N)c(C)c(C)c(C#N)c2c1.
What is the InChIKey of 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile?
The InChIKey is WTDXOVSLVBBKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-9-4-5-12-13(6-9)15(8-17)11(3)10(2)14(12)7-16/h4-6H,1-3H3.
What are the key properties of 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile?
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylnaphthalene-1,4-dicarbonitrile is sourced from PubChem (CID 101223785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).