benzene-1,2,3,4,5,6-hexacarbonitrile

C12N6 — CID 12902195

IUPACbenzene-1,2,3,4,5,6-hexacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C12N6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15
InChIKeyYLDBWNXELVQOFK-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.92
Rot. Bonds

About benzene-1,2,3,4,5,6-hexacarbonitrile

benzene-1,2,3,4,5,6-hexacarbonitrile (PubChem CID 12902195) has the molecular formula C12N6 and a molecular weight of 228.17 g/mol. Its IUPAC name is benzene-1,2,3,4,5,6-hexacarbonitrile.

Molecular Properties

Compound Namebenzene-1,2,3,4,5,6-hexacarbonitrile
PubChem CID12902195
Molecular FormulaC12N6
Molecular Weight228.17 g/mol
Exact Mass228.02
IUPAC Namebenzene-1,2,3,4,5,6-hexacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C12N6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15
InChIKeyYLDBWNXELVQOFK-UHFFFAOYSA-N
XLogP0.92
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4,5-Benzenetetracarbonitrile
CID 12838
Pentamethylphenylacetonitrile
CID 141915
2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile
CID 292481
1,3,5-Benzenetricarbonitrile, 2,4,6-trimethyl-
CID 121055
Pentamethylbenzonitrile
CID 78824
3,6-Difluoro-4,5-bis[1-(trifluoromethyl)-1,2,2,2-tetrafluoroethyl]phthalonitrile
CID 11420635
1,2,4,5-Tetrakis(cyanomethyl)benzene
CID 13046708
1,2,4-Benzenetricarbonitrile
CID 592670
2,3,5,6-Tetramethylterephthalonitrile
CID 11052318
3,4,5,6-Tetramethylphthalonitrile
CID 12288597
Perfluoro 6-isopropyl-2,4,5-trimethyl-benzenecarbonitrile
CID 139067327
Benzene-1,2,3,4-tetracarbonitrile
CID 14149928

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4,5,6-hexacarbonitrile?
The IUPAC name of benzene-1,2,3,4,5,6-hexacarbonitrile (CID 12902195) is benzene-1,2,3,4,5,6-hexacarbonitrile.
What is the SMILES notation for benzene-1,2,3,4,5,6-hexacarbonitrile?
The canonical SMILES for benzene-1,2,3,4,5,6-hexacarbonitrile is N#Cc1c(C#N)c(C#N)c(C#N)c(C#N)c1C#N.
What is the InChIKey of benzene-1,2,3,4,5,6-hexacarbonitrile?
The InChIKey is YLDBWNXELVQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12N6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15.
What are the key properties of benzene-1,2,3,4,5,6-hexacarbonitrile?
benzene-1,2,3,4,5,6-hexacarbonitrile has a molecular weight of 228.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4,5,6-hexacarbonitrile is sourced from PubChem (CID 12902195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).