Geometry & MOs

Info

ID:

317195

PubChem CID:

126632842

Reduced:

OSN7H67C112 (1)

Stoich.:

ABC7D67E112 (1)

Weight, g/mol:

969.408299

ΔHf, kcal/mol:

504.5

Dipole, Da:

1.79

IP(EA), eV:

 -7.98(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC(=C1)C1=NC(=CC(=N1)C1=CC=C(C=C1)N1C3=CC=CC=C3C3=C1C=C1C4=CC=CC=C4SC1=C3)C1=CC=C(C=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)OC3=CC=CC=C34)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations