4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline

C50H40F4N2 — CID 59041372

About 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline (PubChem CID 59041372) has the molecular formula C50H40F4N2 and a molecular weight of 744.88 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
• PubChem CID: 59041372
• Molecular Formula: C50H40F4N2
• Molecular Weight: 744.88 g/mol
• Exact Mass: 744.31
• IUPAC Name: 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3c(F)c(F)c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c(F)c3F)cc2)cc1
• InChI: InChI=1S/C50H40F4N2/c1-33-5-19-39(20-6-33)55(40-21-7-34(2)8-22-40)43-27-13-37(14-28-43)17-31-45-47(51)49(53)46(50(54)48(45)52)32-18-38-15-29-44(30-16-38)56(41-23-9-35(3)10-24-41)42-25-11-36(4)12-26-42/h5-32H,1-4H3
• InChIKey: JTGUZXGOHDACIA-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.88
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline?

The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline (CID 59041372) is 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline.

What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline?

The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3c(F)c(F)c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c(F)c3F)cc2)cc1.

What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline?

The InChIKey is JTGUZXGOHDACIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40F4N2/c1-33-5-19-39(20-6-33)55(40-21-7-34(2)8-22-40)43-27-13-37(14-28-43)17-31-45-47(51)49(53)46(50(54)48(45)52)32-18-38-15-29-44(30-16-38)56(41-23-9-35(3)10-24-41)42-25-11-36(4)12-26-42/h5-32H,1-4H3.

What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline?

4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline has a molecular weight of 744.88 g/mol, XLogP of 14.76, 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-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 59041372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).