Geometry & MOs

Info

ID:

316718

PubChem CID:

126631636

Reduced:

N4H39C58 (2)

Stoich.:

A4B39C58 (2)

Weight, g/mol:

1534.617898

ΔHf, kcal/mol:

549.84

Dipole, Da:

3.76

IP(EA), eV:

 -7.92(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC9=C(C=C8)N=C(N=C9C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations