Geometry & MOs

Info

ID:

316335

PubChem CID:

126630683

Reduced:

N6H52C83 (2)

Stoich.:

A6B52C83 (2)

Weight, g/mol:

1152.487946

ΔHf, kcal/mol:

916.64

Dipole, Da:

12.07

IP(EA), eV:

 -7.01(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[4,6-bis[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C(C=CC=C42)C5=CC=CC6=C5N(C7=C6C=CC=C7C8=C9C1=CC=CC=C1N(C9=CC=C8)C1=CC=CC=C1)C1=CC=CC(=C1)C1=NC(=NC(=N1)C1=CC(=CC=C1)N1C2=C(C=CC=C2C2=C3C4=CC=CC=C4N(C3=CC=C2)C2=CC=CC=C2)C2=C1C(=CC=C2)C1=C2C3=CC=CC=C3N(C2=CC=C1)C1=CC=CC=C1)C1=CC(=CC=C1)N1C2=C(C=CC=C2C2=C3C4=CC=CC=C4N(C3=CC=C2)C2=CC=CC=C2)C2=C1C(=CC=C2)C1=C2C3=CC=CC=C3N(C2=CC=C1)C1=CC=CC=C1)N

DOS

IR

Vibrations