1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene
Catalog Number
ACM192198859-2
CAS
192198-85-9
IUPAC Name
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
Synonyms
2,2',2''-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole)
TPBi
TPBi
Molecular Weight
654.78
Molecular Formula
C45H30N6
Product Information
Canonical SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC(=CC(=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=NC9=CC=CC=C9N8C1=CC=CC=C1
Inchi
InChI=1S/C45H30N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30H
InChIKey
GEQBRULPNIVQPP-UHFFFAOYSA-N
Melting Point
275 °C
Purity
>98.0%(T)(HPLC)
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Complexity
980
Condition To Avoid
Air Sensitive
Hazard Statements
H302 : Harmful if swallowed.
Heavy Atom Count
51
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
MDL Number
MFCD08276433
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
Reaxys Registry Number
9174751
Rotatable Bond Count
6
Signal Word
Warning
Monoisotopic Mass
654.25319498g/mol
Topological Polar Surface Area
53.5Ų
Exact Mass
654.25319498g/mol
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