CAS 192198-85-9 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene

NAVIGATION

Other MOF Linkers

Synonyms

2,2',2''-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole)
TPBi

IUPAC Name

2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

Molecular Weight

654.78

Molecular Formula

C45H30N6

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

InChI Key

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

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

654.25319498g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

MDL Number

MFCD08276433

Monoisotopic Mass

654.25319498g/mol

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.

Rotatable Bond Count

Signal Word

Warning

Topological Polar Surface Area

53.5Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

10.4

MSDS

Download MSDS

COA