Geometry & MOs

Info

ID:

316765

PubChem CID:

126631732

Reduced:

N4H68C101 (2)

Stoich.:

A4B68C101 (2)

Weight, g/mol:

2217.90435

ΔHf, kcal/mol:

882.75

Dipole, Da:

2.77

IP(EA), eV:

 -7.75(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,6-bis[3-[3-(N-(3,5-diphenylphenyl)-3,5-diphenylanilino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-bis(3,5-diphenylphenyl)carbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC(=C1)C1=CC(=NC(=N1)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC=C(C=C2)C2=CC(=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=C(C=C2)C2=CC(=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC=C(C=C2)C2=CC(=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=C(C=C2)C2=CC(=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations