5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile

C22H18N4 — CID 134818003

IUPAC5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile
SMILESCc1c(C#N)c(C)c(-c2c(C)c(C#N)c(C)c(C#N)c2C)c(C)c1C#N
InChIInChI=1S/C22H18N4/c1-11-17(7-23)13(3)21(14(4)18(11)8-24)22-15(5)19(9-25)12(2)20(10-26)16(22)6/h1-6H3
InChIKeyUOIFFTSOGBYYIL-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.69
Rot. Bonds1

About 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile

5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile (PubChem CID 134818003) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile
PubChem CID134818003
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile
SMILESCc1c(C#N)c(C)c(-c2c(C)c(C#N)c(C)c(C#N)c2C)c(C)c1C#N
InChIInChI=1S/C22H18N4/c1-11-17(7-23)13(3)21(14(4)18(11)8-24)22-15(5)19(9-25)12(2)20(10-26)16(22)6/h1-6H3
InChIKeyUOIFFTSOGBYYIL-UHFFFAOYSA-N
XLogP4.69
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile?
The IUPAC name of 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile (CID 134818003) is 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile is Cc1c(C#N)c(C)c(-c2c(C)c(C#N)c(C)c(C#N)c2C)c(C)c1C#N.
What is the InChIKey of 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile?
The InChIKey is UOIFFTSOGBYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-11-17(7-23)13(3)21(14(4)18(11)8-24)22-15(5)19(9-25)12(2)20(10-26)16(22)6/h1-6H3.
What are the key properties of 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile?
5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile has a molecular weight of 338.41 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dicyano-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 134818003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).