2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline

C81H97N3 — CID 158948149

About 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline

2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline (PubChem CID 158948149) has the molecular formula C81H97N3 and a molecular weight of 1112.69 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline
• PubChem CID: 158948149
• Molecular Formula: C81H97N3
• Molecular Weight: 1112.69 g/mol
• Exact Mass: 1111.77
• IUPAC Name: 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline
• SMILES: Cc1ccc(N(c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2C)cc1.Cc1ccc(N(c2ccc(-c3ccc(N(c4c(C)c(C)c(C)c(C)c4C)c4c(C)c(C)c(C)c(C)c4C)cc3)cc2)c2c(C)c(C)c(C)c(C)c2C)cc1
• InChI: InChI=1S/C52H60N2.C29H37N/c1-29-17-23-47(24-18-29)53(50-39(11)33(5)30(2)34(6)40(50)12)48-25-19-45(20-26-48)46-21-27-49(28-22-46)54(51-41(13)35(7)31(3)36(8)42(51)14)52-43(15)37(9)32(4)38(10)44(52)16;1-16-12-14-27(15-13-16)30(28-23(8)19(4)17(2)20(5)24(28)9)29-25(10)21(6)18(3)22(7)26(29)11/h17-28H,1-16H3;12-15H,1-11H3
• InChIKey: JLBWRKMAYYGRNG-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.69
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline?

The IUPAC name of 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline (CID 158948149) is 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline.

What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline?

The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline is Cc1ccc(N(c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2C)cc1.Cc1ccc(N(c2ccc(-c3ccc(N(c4c(C)c(C)c(C)c(C)c4C)c4c(C)c(C)c(C)c(C)c4C)cc3)cc2)c2c(C)c(C)c(C)c(C)c2C)cc1.

What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline?

The InChIKey is JLBWRKMAYYGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N2.C29H37N/c1-29-17-23-47(24-18-29)53(50-39(11)33(5)30(2)34(6)40(50)12)48-25-19-45(20-26-48)46-21-27-49(28-22-46)54(51-41(13)35(7)31(3)36(8)42(51)14)52-43(15)37(9)32(4)38(10)44(52)16;1-16-12-14-27(15-13-16)30(28-23(8)19(4)17(2)20(5)24(28)9)29-25(10)21(6)18(3)22(7)26(29)11/h17-28H,1-16H3;12-15H,1-11H3.

What are the key properties of 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline?

2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline has a molecular weight of 1112.69 g/mol, XLogP of 23.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline is sourced from PubChem (CID 158948149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).