Geometry & MOs

Info

ID:

316312

PubChem CID:

126630614

Reduced:

N11H103C166 (1)

Stoich.:

A11B103C166 (1)

Weight, g/mol:

2250.843147

ΔHf, kcal/mol:

784.9

Dipole, Da:

5.89

IP(EA), eV:

 -8.09(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,6-bis[3-[2,6-bis(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-2,6-bis(9-phenylcarbazol-1-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)C3=CC=CC=C3N4C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC(=CC=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)C3=CC=CC=C3N4C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C=CC(=C6)C1=CC3=C(C=C1)C1=CC=CC=C1N3C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations