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

C176H201N13 — CID 158113945

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

bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile (PubChem CID 158113945) has the molecular formula C176H201N13 and a molecular weight of 2498.63 g/mol. Its IUPAC name is bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
• PubChem CID: 158113945
• Molecular Formula: C176H201N13
• Molecular Weight: 2498.63 g/mol
• Exact Mass: 2496.61
• IUPAC Name: bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
• SMILES: Cc1c(C)c(C)c(-c2c(C#N)c(C)c(C)c(C)c2C#N)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C#N)c(C)c2C)c(C#N)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C#N)c(C)c2C)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)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C#N)c(C#N)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C#N)c(C#N)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C#N)c(C)c1C
• InChI: InChI=1S/5C22H24N2.3C22H27N/c2*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)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)22(20(10-24)13(11)3)21-17(7)14(4)19(9-23)15(5)18(21)8;1-11-12(2)17(7)21(18(8)13(11)3)22-19(9-23)15(5)14(4)16(6)20(22)10-24;1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10-23;1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)14(4)20(10-23)15(5)19(22)9;1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)14(4)15(5)20(10-23)19(22)9/h5*1-8H3;3*1-9H3
• InChIKey: FQTRYQOCTJWDLL-UHFFFAOYSA-N
• XLogP: 45.82
• TPSA: 309.27 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2498.63
LogP ≤ 5	45.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile (CID 158113945) is bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile.

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

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

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

The InChIKey is FQTRYQOCTJWDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H24N2.3C22H27N/c2*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)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)22(20(10-24)13(11)3)21-17(7)14(4)19(9-23)15(5)18(21)8;1-11-12(2)17(7)21(18(8)13(11)3)22-19(9-23)15(5)14(4)16(6)20(22)10-24;1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10-23;1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)14(4)20(10-23)15(5)19(22)9;1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)14(4)15(5)20(10-23)19(22)9/h5*1-8H3;3*1-9H3.

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

bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile has a molecular weight of 2498.63 g/mol, XLogP of 45.82, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;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;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 158113945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).