(E,E)-1,4-Bis[4-[bis(4-methoxyphenyl)amino]styryl]benzene

Catalog Number

ACM872466507-1

CAS

872466-50-7

Synonyms

TOP-HTM-α1

IUPAC Name

4-[(E)-2-[4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline

Molecular Weight

736.91

Molecular Formula

C50H44N2O4

Canonical SMILES

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)N(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

InChI

InChI=1S/C50H44N2O4/c1-53-47-29-21-43(22-30-47)51(44-23-31-48(54-2)32-24-44)41-17-13-39(14-18-41)11-9-37-5-7-38(8-6-37)10-12-40-15-19-42(20-16-40)52(45-25-33-49(55-3)34-26-45)46-27-35-50(56-4)36-28-46/h5-36H,1-4H3/b11-9+,12-10+

InChI Key

KKWNEIFCIBJISP-WGDLNXRISA-N

Melting Point

181 °C

Purity

95%+

Appearance

White to Yellow to Green powder to crystal

Storage

Store under inert gas

MDL Number

MFCD00041955

• Catalog Number: ACM872466507-1
• CAS: 872466-50-7
• Synonyms: TOP-HTM-α1
• IUPAC Name: 4-[(E)-2-[4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
• Molecular Weight: 736.91
• Molecular Formula: C50H44N2O4
• Canonical SMILES: COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)N(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
• InChI: InChI=1S/C50H44N2O4/c1-53-47-29-21-43(22-30-47)51(44-23-31-48(54-2)32-24-44)41-17-13-39(14-18-41)11-9-37-5-7-38(8-6-37)10-12-40-15-19-42(20-16-40)52(45-25-33-49(55-3)34-26-45)46-27-35-50(56-4)36-28-46/h5-36H,1-4H3/b11-9+,12-10+
• InChI Key: KKWNEIFCIBJISP-WGDLNXRISA-N
• Melting Point: 181 °C
• Purity: 95%+
• Appearance: White to Yellow to Green powder to crystal
• Storage: Store under inert gas
• MDL Number: MFCD00041955