2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline

C50H44F4N2 — CID 118299311

About 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline

2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline (PubChem CID 118299311) has the molecular formula C50H44F4N2 and a molecular weight of 748.91 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline
• PubChem CID: 118299311
• Molecular Formula: C50H44F4N2
• Molecular Weight: 748.91 g/mol
• Exact Mass: 748.34
• IUPAC Name: 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline
• SMILES: Cc1c(C)c(N(c2ccccc2)c2ccccc2)c(C)c(C)c1-c1c(F)c(F)c(-c2c(C)c(C)c(N(c3ccccc3)c3ccccc3)c(C)c2C)c(F)c1F
• InChI: InChI=1S/C50H44F4N2/c1-29-33(5)49(55(37-21-13-9-14-22-37)38-23-15-10-16-24-38)34(6)30(2)41(29)43-45(51)47(53)44(48(54)46(43)52)42-31(3)35(7)50(36(8)32(42)4)56(39-25-17-11-18-26-39)40-27-19-12-20-28-40/h9-28H,1-8H3
• InChIKey: DKONCADMWFFMNA-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.91
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline?

The IUPAC name of 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline (CID 118299311) is 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline.

What is the SMILES notation for 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline?

The canonical SMILES for 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline is Cc1c(C)c(N(c2ccccc2)c2ccccc2)c(C)c(C)c1-c1c(F)c(F)c(-c2c(C)c(C)c(N(c3ccccc3)c3ccccc3)c(C)c2C)c(F)c1F.

What is the InChIKey of 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline?

The InChIKey is DKONCADMWFFMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44F4N2/c1-29-33(5)49(55(37-21-13-9-14-22-37)38-23-15-10-16-24-38)34(6)30(2)41(29)43-45(51)47(53)44(48(54)46(43)52)42-31(3)35(7)50(36(8)32(42)4)56(39-25-17-11-18-26-39)40-27-19-12-20-28-40/h9-28H,1-8H3.

What are the key properties of 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline?

2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline has a molecular weight of 748.91 g/mol, XLogP of 14.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline is sourced from PubChem (CID 118299311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).