Geometry & MOs

Info

ID:

378242

PubChem CID:

134224318

Reduced:

ON8H41C65 (2)

Stoich.:

AB8C41D65 (2)

Weight, g/mol:

1639.628129

ΔHf, kcal/mol:

655.17

Dipole, Da:

2.59

IP(EA), eV:

 -8.03(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[6-[3-[9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylbenzoyl]phenyl]carbazol-2-yl]phenyl]pyridin-2-yl]-5-(6-phenylpyridin-2-yl)phenyl]-[3,5-bis(6-phenylpyridin-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC3=C2C=CC=C3C4=NC=CC5=C4C6=C(N5C7=CC(=CC(=C7)N8C9=C(C=NC=C9)C1=C8C=CN=C1)C(=O)C1=CC(=CC(=C1)N1C2=C(C=NC=C2)C2=C1C=CN=C2)N1C2=C(C=NC=C2)C2=C1C=CN=C2)C=CN=C6)C1=CC(=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21)C(=O)C1=CC(=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21)N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations