Geometry & MOs

Info

ID:

316764

PubChem CID:

126631731

Reduced:

N3H25C37 (3)

Stoich.:

A3B25C37 (3)

Weight, g/mol:

2675.095506

ΔHf, kcal/mol:

548.41

Dipole, Da:

3.23

IP(EA), eV:

 -7.69(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC(=C7)C8=NC(=NC(=N8)C9=CC(=CC=C9)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations