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

C176H204N12 — CID 161284975

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

1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile) (PubChem CID 161284975) has the molecular formula C176H204N12 and a molecular weight of 2487.65 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile).

Molecular Properties

• Compound Name: 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile)
• PubChem CID: 161284975
• Molecular Formula: C176H204N12
• Molecular Weight: 2487.65 g/mol
• Exact Mass: 2485.63
• IUPAC Name: 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile)
• SMILES: 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#N)c(C#N)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C#N)c(C#N)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C#N)c(C)c2C#N)c(C)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)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
• InChI: InChI=1S/5C22H24N2.2C22H27N.C22H30/c1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)19(9-23)14(4)15(5)20(22)10-24;2*1-11-12(2)15(5)21(16(6)13(11)3)22-17(7)14(4)19(9-23)20(10-24)18(22)8;1-11-12(2)15(5)21(16(6)13(11)3)22-17(7)14(4)19(9-23)18(8)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;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)15(5)20(10-23)19(22)9;1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10/h5*1-8H3;2*1-9H3;1-10H3
• InChIKey: VFPAZKLFUAZHAB-UHFFFAOYSA-N
• XLogP: 46.26
• TPSA: 285.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2487.65
LogP ≤ 5	46.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile) (CID 161284975) is 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile).

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

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

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

The InChIKey is VFPAZKLFUAZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H24N2.2C22H27N.C22H30/c1-11-12(2)16(6)21(17(7)13(11)3)22-18(8)19(9-23)14(4)15(5)20(22)10-24;2*1-11-12(2)15(5)21(16(6)13(11)3)22-17(7)14(4)19(9-23)20(10-24)18(22)8;1-11-12(2)15(5)21(16(6)13(11)3)22-17(7)14(4)19(9-23)18(8)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;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)15(5)20(10-23)19(22)9;1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10/h5*1-8H3;2*1-9H3;1-10H3.

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

1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile) has a molecular weight of 2487.65 g/mol, XLogP of 46.26, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;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-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile) is sourced from PubChem (CID 161284975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).