Geometry & MOs

Info

ID:

316334

PubChem CID:

126630681

Reduced:

N11H99C160 (1)

Stoich.:

A11B99C160 (1)

Weight, g/mol:

2265.854046

ΔHf, kcal/mol:

761.88

Dipole, Da:

2.51

IP(EA), eV:

 -7.94(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[3-[4,6-bis[3-[1,8-bis(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-8-(9-phenylcarbazol-4-yl)carbazol-1-yl]-9-phenylfluoren-9-amine

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=C(C=C1)C1=CC=C(C=C1)C1=CC(=NC(=N1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations