4,4'-[2-(4,5-di-4-pyridinyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-diyl]bis-Pyridine

Name: 4,4'-[2-(4,5-di-4-pyridinyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-diyl]bis-Pyridine
SKU: ACM19057502-4
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Catalog NumberACM19057502-4

CAS Number19057-50-2

CategoryNitrogen-containing MOF ligand-multiple nitrogen-containing MOF ligand

IUPAC Name

1,2,3,4,5,6-hexakis(4-bromophenyl)benzene

Molecular Weight

1008.1g/mol

Molecular Formula

C42H24Br6

InChI

InChI=1S/C42H24Br6/c43-31-13-1-25(2-14-31)37-38(26-3-15-32(44)16-4-26)40(28-7-19-34(46)20-8-28)42(30-11-23-36(48)24-12-30)41(29-9-21-35(47)22-10-29)39(37)27-5-17-33(45)18-6-27/h1-24H

InChI Key

KUSYGQSHKDPKRR-UHFFFAOYSA-N

Complexity

745

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

1007.69168g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

1001.69783g/mol

Rotatable Bond Count

Topological Polar Surface Area

0Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

15.8

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