Geometry & MOs

Info

ID:

316084

PubChem CID:

126630015

Reduced:

N2C125H140 (1)

Stoich.:

A2B125C140 (1)

Weight, g/mol:

1938.324108

ΔHf, kcal/mol:

167.06

Dipole, Da:

2.56

IP(EA), eV:

 -7.66(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[4-[9,9-bis(4-octylphenyl)-7-phenylfluoren-2-yl]phenyl]-7-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-bis(4-octylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7=C(C6(CCCCCCCC)CCCCCCCC)C=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)C2=CC3=C(C=C2)C2=C(C3(CCC3=CC4=C(CC4)C=C3)CCC3=CC4=C(CC4)C=C3)C=C(C=C2)C2=CC=CC=C2)C2=C1C=C(C=C2)C(C)CC)CCCCCCCC

DOS

IR

Vibrations