Geometry & MOs

Info

ID:

316715

PubChem CID:

126631632

Reduced:

N4H32C47 (2)

Stoich.:

A4B32C47 (2)

Weight, g/mol:

1306.523998

ΔHf, kcal/mol:

466.94

Dipole, Da:

3.46

IP(EA), eV:

 -7.78(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4,6-bis[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC(=C6)C7=CC(=NC(=N7)C8=CC(=CC=C8)N9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C19)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations