Geometry & MOs

Info

ID:

317175

PubChem CID:

126632734

Reduced:

SN7H47C72 (1)

Stoich.:

AB7C47D72 (1)

Weight, g/mol:

1367.544399

ΔHf, kcal/mol:

358.58

Dipole, Da:

2.53

IP(EA), eV:

 -8.2(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)N(C5=CC=CC=C54)C6=NC(=NC(=N6)N(C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C

DOS

IR

Vibrations