Geometry & MOs

Info

ID:

316245

PubChem CID:

126630440

Reduced:

N11H105C170 (1)

Stoich.:

A11B105C170 (1)

Weight, g/mol:

2250.843147

ΔHf, kcal/mol:

804.93

Dipole, Da:

2.74

IP(EA), eV:

 -7.86(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[3-[4,6-bis[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=C2C=CC(=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC(=C1)C1=CC2=C(C=C1)N=C(N=C2C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)N(C2=C3C=C(C=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)N(C2=C3C=C(C=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations