Geometry & MOs

Info

ID:

317173

PubChem CID:

126632729

Reduced:

N3H27C38 (2)

Stoich.:

A3B27C38 (2)

Weight, g/mol:

1100.456646

ΔHf, kcal/mol:

328.19

Dipole, Da:

3.99

IP(EA), eV:

 -8.22(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)quinazolin-2-yl]-N,9-diphenylcarbazol-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=NC(=CC(=N7)N(C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1)N1C2=C(C3=CC=CC=C31)C1=C(C=C2)C2=CC=CC=C2C1(C)C)C

DOS

IR

Vibrations