4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline

C57H60N2 — CID 163982505

About 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 163982505) has the molecular formula C57H60N2 and a molecular weight of 773.12 g/mol. Its IUPAC name is 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
• PubChem CID: 163982505
• Molecular Formula: C57H60N2
• Molecular Weight: 773.12 g/mol
• Exact Mass: 772.48
• IUPAC Name: 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
• SMILES: CCC[C@@H](C)c1ccc(C2CCC(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)CC2)cc1
• InChI: InChI=1S/C57H60N2/c1-7-8-45(6)46-17-19-47(20-18-46)48-37-39-57(40-38-48,49-21-33-55(34-22-49)58(51-25-9-41(2)10-26-51)52-27-11-42(3)12-28-52)50-23-35-56(36-24-50)59(53-29-13-43(4)14-30-53)54-31-15-44(5)16-32-54/h9-36,45,48H,7-8,37-40H2,1-6H3/t45-/m1/s1
• InChIKey: SZQPSULDFBMEHI-WBVITSLISA-N
• XLogP: 16.41
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.12
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?

The IUPAC name of 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline (CID 163982505) is 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline.

What is the SMILES notation for 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?

The canonical SMILES for 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline is CCC[C@@H](C)c1ccc(C2CCC(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)CC2)cc1.

What is the InChIKey of 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?

The InChIKey is SZQPSULDFBMEHI-WBVITSLISA-N. The full InChI is InChI=1S/C57H60N2/c1-7-8-45(6)46-17-19-47(20-18-46)48-37-39-57(40-38-48,49-21-33-55(34-22-49)58(51-25-9-41(2)10-26-51)52-27-11-42(3)12-28-52)50-23-35-56(36-24-50)59(53-29-13-43(4)14-30-53)54-31-15-44(5)16-32-54/h9-36,45,48H,7-8,37-40H2,1-6H3/t45-/m1/s1.

What are the key properties of 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline?

4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 773.12 g/mol, XLogP of 16.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-4-[4-[(2R)-pentan-2-yl]phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 163982505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).