Geometry & MOs

Info

ID:

317092

PubChem CID:

126632467

Reduced:

P3N5H70C112 (1)

Stoich.:

A3B5C70D112 (1)

Weight, g/mol:

1628.503413

ΔHf, kcal/mol:

492.27

Dipole, Da:

4.72

IP(EA), eV:

 -8.22(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,4-bis[3-[3-(5-phenylbenzo[b]phosphindol-2-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-3-(5-phenylbenzo[b]phosphindol-2-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)P(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC(=CC=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)P(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations