4,4'-Bis[di(3,5-xylyl)amino]-4''-phenyltriphenylamine

Catalog Number

ACM249609492-1

CAS

249609-49-2

Synonyms

N-(4-Biphenylyl)-N,N-bis[4-[di(3,5-xylyl)amino]phenyl]amine

IUPAC Name

4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine

Molecular Weight

768.06

Molecular Formula

C56H53N3

Canonical SMILES

CC1=CC(=CC(=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)N(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

InChI

InChI=1S/C56H53N3/c1-38-26-39(2)31-53(30-38)58(54-32-40(3)27-41(4)33-54)51-22-18-49(19-23-51)57(48-16-14-47(15-17-48)46-12-10-9-11-13-46)50-20-24-52(25-21-50)59(55-34-42(5)28-43(6)35-55)56-36-44(7)29-45(8)37-56/h9-37H,1-8H3

InChI Key

XPHQVAAGYDLYOC-UHFFFAOYSA-N

Boiling Point

267 °C

Melting Point

267 °C

Purity

95%+

Appearance

Light yellow toyellow to green powder to crystal

Storage

Store under inert gas

MDL Number

MFCD03844780

• Catalog Number: ACM249609492-1
• CAS: 249609-49-2
• Synonyms: N-(4-Biphenylyl)-N,N-bis[4-[di(3,5-xylyl)amino]phenyl]amine
• IUPAC Name: 4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
• Molecular Weight: 768.06
• Molecular Formula: C56H53N3
• Canonical SMILES: CC1=CC(=CC(=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)N(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
• InChI: InChI=1S/C56H53N3/c1-38-26-39(2)31-53(30-38)58(54-32-40(3)27-41(4)33-54)51-22-18-49(19-23-51)57(48-16-14-47(15-17-48)46-12-10-9-11-13-46)50-20-24-52(25-21-50)59(55-34-42(5)28-43(6)35-55)56-36-44(7)29-45(8)37-56/h9-37H,1-8H3
• InChI Key: XPHQVAAGYDLYOC-UHFFFAOYSA-N
• Boiling Point: 267 °C
• Melting Point: 267 °C
• Purity: 95%+
• Appearance: Light yellow toyellow to green powder to crystal
• Storage: Store under inert gas
• MDL Number: MFCD03844780