Geometry & MOs

Info

ID:

329333

PubChem CID:

126734829

Reduced:

N7H33C55 (1)

Stoich.:

A7B33C55 (1)

Weight, g/mol:

1746.680499

ΔHf, kcal/mol:

353.94

Dipole, Da:

5.41

IP(EA), eV:

 -7.84(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-6-[3-[9-[9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazol-9-yl]-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=C(C=C6)C7=C(C=C(C=C7)C8=NC(=NC(=C8)C9=CC=C(C=C9)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations