Geometry & MOs

Info

ID:

316323

PubChem CID:

126630648

Reduced:

N4H34C55 (3)

Stoich.:

A4B34C55 (3)

Weight, g/mol:

2299.863548

ΔHf, kcal/mol:

795.97

Dipole, Da:

2.42

IP(EA), eV:

 -7.96(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4,7-bis[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinolin-5-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=CC(=C6)C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC(=C1)C1=NC(=NC(=N1)C1=CC(=CC=C1)N1C3=CC=CC=C3C3=C1C=C(C=C3)C1=CC3=C(C=C1)C1=C(N3C3=CC=CC=C3)C=CC(=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC(=CC=C1)N1C3=CC=CC=C3C3=C1C=C(C=C3)C1=CC3=C(C=C1)C1=C(N3C3=CC=CC=C3)C=CC(=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations