Geometry & MOs

Info

ID:

316315

PubChem CID:

126630618

Reduced:

N4H34C55 (3)

Stoich.:

A4B34C55 (3)

Weight, g/mol:

2251.838396

ΔHf, kcal/mol:

839.95

Dipole, Da:

4.73

IP(EA), eV:

 -8.06(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[9-[3-[4,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenyl-8-(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=CC5=C4N(C6=CC=CC=C56)C7=CC=CC=C7)C8=C2C=C(C=C8)C9=CC=CC1=C9N(C2=CC=CC=C12)C1=CC=CC(=C1)C1=NC(=NC(=N1)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C(=CC=C2)C1=CC2=C(C=C1)C1=C(N2C2=CC=CC=C2)C=CC(=C1)C1=CC=CC2=C1N(C1=CC=CC=C21)C1=CC=CC=C1)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C(=CC=C2)C1=CC2=C(C=C1)C1=C(N2C2=CC=CC=C2)C=CC(=C1)C1=CC=CC2=C1N(C1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations