CAS 1184934-21-1 Benzoic acid, 4,4'-[2,8-bis(1,1-dimethylethyl)-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl]bis-

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Benzoic acid, 4,4'-[2,8-bis(1,1-dimethylethyl)-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl]bis-

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Catalog Number

ACM1184934211-1

Product Name

Benzoic acid, 4,4'-[2,8-bis(1,1-dimethylethyl)-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl]bis-

CAS

1184934-21-1

Category

Customizable MOF Linkers

Synonyms

4,4'-(2,8-di-tert-butyl-4,10-dihydropyreno[4,5-d:9,10-d']diimidazole-5,11-diyl)dibenzoic acid

IUPAC Name

4-[9,19-ditert-butyl-14-(4-carboxyphenyl)-3,5,13,15-tetrazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),3,7(22),8,10,12(16),13,17(21),18-decaen-4-yl]benzoic acid

Molecular Weight

634.72

Molecular Formula

C40H34N4O4

InChI

InChI=1S/C40H34N4O4/c1-39(2,3)23-15-25-29-26(16-23)32-34(44-36(42-32)20-9-13-22(14-10-20)38(47)48)28-18-24(40(4,5)6)17-27(30(28)29)33-31(25)41-35(43-33)19-7-11-21(12-8-19)37(45)46/h7-18H,1-6H3,(H,41,43)(H,42,44)(H,45,46)(H,47,48)

InChI Key

NHSRBVGDTMJTJK-UHFFFAOYSA-N

Purity

95%

Complexity

1130

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

634.25800558g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

634.25800558g/mol

Particles Size

less than 10nm

Rotatable Bond Count

Topological Polar Surface Area

132Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

8.4

MSDS

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COA

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Spec Sheet

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