1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone

C82H64F6N4O3 — CID 158455123

About 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone

1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone (PubChem CID 158455123) has the molecular formula C82H64F6N4O3 and a molecular weight of 1267.43 g/mol. Its IUPAC name is 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone
• PubChem CID: 158455123
• Molecular Formula: C82H64F6N4O3
• Molecular Weight: 1267.43 g/mol
• Exact Mass: 1266.49
• IUPAC Name: 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone
• SMILES: CC(=O)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(=O)C(F)(F)F)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(=O)C(F)(F)F)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C42H33F3N2O2.C40H31F3N2O/c1-28-4-16-35(17-5-28)46(37-20-8-31(9-21-37)30(3)48)38-22-10-32(11-23-38)33-12-24-39(25-13-33)47(36-18-6-29(2)7-19-36)40-26-14-34(15-27-40)41(49)42(43,44)45;1-28-8-18-34(19-9-28)44(33-6-4-3-5-7-33)36-22-12-30(13-23-36)31-14-24-37(25-15-31)45(35-20-10-29(2)11-21-35)38-26-16-32(17-27-38)39(46)40(41,42)43/h4-27H,1-3H3;3-27H,1-2H3
• InChIKey: HEMAKYCLIMMTQW-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 64.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1267.43
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone?

The IUPAC name of 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone (CID 158455123) is 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone.

What is the SMILES notation for 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone?

The canonical SMILES for 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone is CC(=O)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(=O)C(F)(F)F)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(=O)C(F)(F)F)cc4)cc3)cc2)cc1.

What is the InChIKey of 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone?

The InChIKey is HEMAKYCLIMMTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33F3N2O2.C40H31F3N2O/c1-28-4-16-35(17-5-28)46(37-20-8-31(9-21-37)30(3)48)38-22-10-32(11-23-38)33-12-24-39(25-13-33)47(36-18-6-29(2)7-19-36)40-26-14-34(15-27-40)41(49)42(43,44)45;1-28-8-18-34(19-9-28)44(33-6-4-3-5-7-33)36-22-12-30(13-23-36)31-14-24-37(25-15-31)45(35-20-10-29(2)11-21-35)38-26-16-32(17-27-38)39(46)40(41,42)43/h4-27H,1-3H3;3-27H,1-2H3.

What are the key properties of 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone?

1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone has a molecular weight of 1267.43 g/mol, XLogP of 23.51, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone is sourced from PubChem (CID 158455123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).