Geometry & MOs

Info

ID:

316774

PubChem CID:

126631745

Reduced:

O3N8H82C130 (1)

Stoich.:

A3B8C82D130 (1)

Weight, g/mol:

1760.721301

ΔHf, kcal/mol:

532.29

Dipole, Da:

4.96

IP(EA), eV:

 -7.85(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7O6)C8=CC=CC(=C8)C9=CC(=NC(=N9)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC3=C(C=C1)C1=CC=CC=C1O3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC3=C(C=C1)C1=CC=CC=C1O3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations