Geometry & MOs

Info

ID:

316770

PubChem CID:

126631740

Reduced:

N2H25C37 (4)

Stoich.:

A2B25C37 (4)

Weight, g/mol:

1728.618292

ΔHf, kcal/mol:

672.18

Dipole, Da:

2.23

IP(EA), eV:

 -8.03(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-[3-[4-[3-[dibenzofuran-4-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-6-[3-(4-dibenzofuran-4-yl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC=CC=C7)C8=CC=CC(=C8)C9=CC(=NC(=N9)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations