Geometry & MOs

Info

ID:

316766

PubChem CID:

126631733

Reduced:

N4H56C83 (2)

Stoich.:

A4B56C83 (2)

Weight, g/mol:

1533.622649

ΔHf, kcal/mol:

740.79

Dipole, Da:

1.82

IP(EA), eV:

 -7.91(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N(C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC(=C6)C7=CC(=NC(=N7)C8=CC(=CC=C8)N9C1=C(C=C(C=C1)N(C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C19)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC(=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC(=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations