Geometry & MOs

Info

ID:

315073

PubChem CID:

126624335

Reduced:

N2H39C53 (2)

Stoich.:

A2B39C53 (2)

Weight, g/mol:

1332.578719

ΔHf, kcal/mol:

422.73

Dipole, Da:

2.95

IP(EA), eV:

 -7.8(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[6-[8-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]dibenzofuran-2-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(4-ethenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)C=C)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)C9=CC=CC=C9)C1=C7C=CC(=C1)C1=CC2=C(C=C1)N(C1=C2C=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)C=C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations