4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

C52H42F6N2 — CID 162548481

About 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 162548481) has the molecular formula C52H42F6N2 and a molecular weight of 808.91 g/mol. Its IUPAC name is 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• PubChem CID: 162548481
• Molecular Formula: C52H42F6N2
• Molecular Weight: 808.91 g/mol
• Exact Mass: 808.33
• IUPAC Name: 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C\c3cc(C(F)(F)F)c(/C=C\c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C52H42F6N2/c1-35-5-21-43(22-6-35)59(44-23-7-36(2)8-24-44)47-29-15-39(16-30-47)13-19-41-33-50(52(56,57)58)42(34-49(41)51(53,54)55)20-14-40-17-31-48(32-18-40)60(45-25-9-37(3)10-26-45)46-27-11-38(4)12-28-46/h5-34H,1-4H3/b19-13-,20-14-
• InChIKey: RYSLUAIBCKEWCW-AXPXABNXSA-N
• XLogP: 16.24
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.91
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The IUPAC name of 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (CID 162548481) is 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

What is the SMILES notation for 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The canonical SMILES for 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C\c3cc(C(F)(F)F)c(/C=C\c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3C(F)(F)F)cc2)cc1.

What is the InChIKey of 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The InChIKey is RYSLUAIBCKEWCW-AXPXABNXSA-N. The full InChI is InChI=1S/C52H42F6N2/c1-35-5-21-43(22-6-35)59(44-23-7-36(2)8-24-44)47-29-15-39(16-30-47)13-19-41-33-50(52(56,57)58)42(34-49(41)51(53,54)55)20-14-40-17-31-48(32-18-40)60(45-25-9-37(3)10-26-45)46-27-11-38(4)12-28-46/h5-34H,1-4H3/b19-13-,20-14-.

What are the key properties of 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 808.91 g/mol, XLogP of 16.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[(Z)-2-[4-[(Z)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 162548481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).