Geometry & MOs

Info

ID:

316755

PubChem CID:

126631719

Reduced:

N3H33C46 (3)

Stoich.:

A3B33C46 (3)

Weight, g/mol:

1838.743099

ΔHf, kcal/mol:

582.35

Dipole, Da:

4.59

IP(EA), eV:

 -7.86(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-bis(4-phenylphenyl)-9-[3-[4-[3-[3-(4-phenyl-N-(4-phenylphenyl)anilino)carbazol-9-yl]phenyl]-6-[3-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC(=C8)C9=NC(=NC(=N9)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC=CC=C14)C

DOS

IR

Vibrations