Geometry & MOs

Info

ID:

316270

PubChem CID:

126630536

Reduced:

N11H99C160 (1)

Stoich.:

A11B99C160 (1)

Weight, g/mol:

2300.858797

ΔHf, kcal/mol:

756.46

Dipole, Da:

0.78

IP(EA), eV:

 -8.05(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=C(N4C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC=C(C=C8)N9C2=C(C=CC(=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=C9C=C(C=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=CC(=CC=C2)N2C3=C(C=CC(=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C2C=C(C=C3)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C=C(C=C5)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations