Geometry & MOs

Info

ID:

316777

PubChem CID:

126631751

Reduced:

N4H28C43 (3)

Stoich.:

A4B28C43 (3)

Weight, g/mol:

2028.796197

ΔHf, kcal/mol:

665.98

Dipole, Da:

4.39

IP(EA), eV:

 -7.71(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC(=C4)C5=NC(=NC(=N5)C6=CC(=CC=C6)N(C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC3=C1N(C1=CC=CC=C31)C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC3=C1N(C1=CC=CC=C31)C1=CC=CC=C1)C1=CC=CC3=C1N(C1=CC=CC=C31)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations