Geometry & MOs

Info

ID:

316763

PubChem CID:

126631730

Reduced:

N2H28C37 (4)

Stoich.:

A2B28C37 (4)

Weight, g/mol:

1534.617898

ΔHf, kcal/mol:

538.13

Dipole, Da:

1.54

IP(EA), eV:

 -7.57(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C2=C(C=C(C=C2)N(C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations