Geometry & MOs

Info

ID:

316994

PubChem CID:

126632229

Reduced:

N5H75C107 (1)

Stoich.:

A5B75C107 (1)

Weight, g/mol:

1381.585201

ΔHf, kcal/mol:

417.4

Dipole, Da:

3.44

IP(EA), eV:

 -8.15(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-2-yl)-9-[4-[4-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=NC(=NC8=C7C=C(C=C8)C9=CC(=CC=C9)N2C3=CC=CC=C3C3=C2C=C(C=C3)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC(=CC=C2)N2C3=CC=CC=C3C3=C2C=C(C=C3)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations