Geometry & MOs

Info

ID:

317034

PubChem CID:

126632307

Reduced:

N3H37C51 (2)

Stoich.:

A3B37C51 (2)

Weight, g/mol:

1430.605602

ΔHf, kcal/mol:

406.5

Dipole, Da:

0.69

IP(EA), eV:

 -8.22(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C6=NC(=NC(=N6)C7=CC=C(C=C7)N8C9=C(C=C(C=C9)C1=CC2=C(C=C1)C(C1=CC=CC=C12)(C)C)C1=CC=CC=C18)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations