Geometry & MOs

Info

ID:

316983

PubChem CID:

126632200

Reduced:

N5H69C99 (1)

Stoich.:

A5B69C99 (1)

Weight, g/mol:

1354.574302

ΔHf, kcal/mol:

391.3

Dipole, Da:

1.52

IP(EA), eV:

 -8.28(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC7=C(C=C6)N=C(N=C7C8=CC=C(C9=CC=CC=C98)N2C3=CC=CC=C3C3=C2C=C(C=C3)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)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