2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile

C176H192N16 — CID 161179009

About 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile

2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile (PubChem CID 161179009) has the molecular formula C176H192N16 and a molecular weight of 2531.58 g/mol. Its IUPAC name is 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
• PubChem CID: 161179009
• Molecular Formula: C176H192N16
• Molecular Weight: 2531.58 g/mol
• Exact Mass: 2529.55
• IUPAC Name: 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
• SMILES: Cc1c(C)c(C#N)c(C)c(-c2c(C)c(C)c(C#N)c(C)c2C)c1C.Cc1c(C)c(C#N)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c1C.Cc1c(C)c(C#N)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C#N)c(C)c(C#N)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C#N)c(C)c(C)c2C#N)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c(C#N)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c(C#N)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C#N)c(C#N)c1C
• InChI: InChI=1S/8C22H24N2/c2*1-11-13(3)19(9-23)17(7)21(15(11)5)22-16(6)12(2)14(4)20(10-24)18(22)8;1-11-13(3)17(7)21(19(9-23)15(11)5)22-18(8)14(4)12(2)16(6)20(22)10-24;1-11-12(2)20(10-24)18(8)22(15(11)5)21-16(6)13(3)19(9-23)14(4)17(21)7;2*1-11-12(2)17(7)22(20(10-24)15(11)5)21-16(6)13(3)14(4)19(9-23)18(21)8;1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)19(9-23)14(4)15(5)20(22)10-24;1-11-12(2)14(4)21(15(5)13(11)3)22-17(7)19(9-23)16(6)20(10-24)18(22)8/h8*1-8H3
• InChIKey: USERVQGOQXOKDJ-UHFFFAOYSA-N
• XLogP: 44.51
• TPSA: 380.64 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.58
LogP ≤ 5	44.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile?

The IUPAC name of 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile (CID 161179009) is 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile.

What is the SMILES notation for 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile?

The canonical SMILES for 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile is Cc1c(C)c(C#N)c(C)c(-c2c(C)c(C)c(C#N)c(C)c2C)c1C.Cc1c(C)c(C#N)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c1C.Cc1c(C)c(C#N)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C#N)c(C)c(C#N)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C#N)c(C)c(C)c2C#N)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c(C#N)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C#N)c2C)c(C#N)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C#N)c(C#N)c1C.

What is the InChIKey of 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile?

The InChIKey is USERVQGOQXOKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/8C22H24N2/c2*1-11-13(3)19(9-23)17(7)21(15(11)5)22-16(6)12(2)14(4)20(10-24)18(22)8;1-11-13(3)17(7)21(19(9-23)15(11)5)22-18(8)14(4)12(2)16(6)20(22)10-24;1-11-12(2)20(10-24)18(8)22(15(11)5)21-16(6)13(3)19(9-23)14(4)17(21)7;2*1-11-12(2)17(7)22(20(10-24)15(11)5)21-16(6)13(3)14(4)19(9-23)18(21)8;1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)19(9-23)14(4)15(5)20(22)10-24;1-11-12(2)14(4)21(15(5)13(11)3)22-17(7)19(9-23)16(6)20(10-24)18(22)8/h8*1-8H3.

What are the key properties of 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile?

2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile has a molecular weight of 2531.58 g/mol, XLogP of 44.51, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 161179009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).