Geometry & MOs

Info

ID:

316767

PubChem CID:

126631734

Reduced:

N2H19C28 (4)

Stoich.:

A2B19C28 (4)

Weight, g/mol:

1990.805699

ΔHf, kcal/mol:

531.87

Dipole, Da:

2.77

IP(EA), eV:

 -7.71(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4,6-bis[3-[N-(3,5-diphenylphenyl)-4-(9-phenylcarbazol-2-yl)anilino]phenyl]-1,3,5-triazin-2-yl]phenyl]-3,5-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

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=CC(=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