7,7,13,13,23,23,29,29-Octamethyl-7,13,23,29-tetraazoniapentacyclo(28.2.2.23,6.214,17.219,22)tetraconta-3,5,14,16,19,21,30,32,33,35,37,39-dodecaene tetrachloride

HCID 147692

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Basic information

CAS: 121625-31-8
Standard SMILES: C[N+]1(C)CCCCC[N+](C)(C)c2ccc(cc2)Cc2ccc(cc2)[N+](C)(C)CCCCC[N+](C)(C)c2ccc(cc2)Cc2ccc1cc2.[Cl-].[Cl-].[Cl-].[Cl-]
InChIKey: MCGNUOQSCQMTDG-UHFFFAOYSA-J
Molecular formula: C44H64Cl4N4
Average molar mass: 790.8 g/mol
Monoisotopic mass: 788.388509

Names & identifiers

Preferred name: 7,7,13,13,23,23,29,29-Octamethyl-7,13,23,29-tetraazoniapentacyclo(28.2.2.23,6.214,17.219,22)tetraconta-3,5,14,16,19,21,30,32,33,35,37,39-dodecaene tetrachloride
IUPAC: 7,7,13,13,23,23,29,29-octamethyl-7,13,23,29-tetrazoniapentacyclo[28.2.2.23,6.214,17.219,22]tetraconta-1(32),3(40),4,6(39),14(38),15,17(37),19,21,30,33,35-dodecaene tetrachloride

Names & synonyms

121625-31-87,7,13,13,23,23,29,29-Octamethyl-7,13,23,29-tetraazoniapentacyclo(28.2.2.23,6.214,17.219,22)tetraconta-3,5,14,16,19,21,30,32,33,35,37,39-dodecaene tetrachlorideDTXSID309238944,4,10,10,14,14,20,20-Octamethyl-4,10,14,20-tetraaza-1,3,11,13(1,4)-tetrabenzenacycloicosaphane-4,10,14,20-tetraium tetrachloride7,7,13,13,23,23,29,29-Octamethyl-7,13,23,29-tetraazapentacyclo[28.2.2.2~3,6~.2~14,17~.2~19,22~]tetraconta-1(32),3,5,14,16,19,21,30,33,35,37,39-dodecaene-7,13,23,29-tetraium tetrachloride

Database identifiers

CAS: 121625-31-8
PubChem CID: 147692
DTXSID: DTXSID30923894

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 52
Formal charge: 0
Complexity: 774

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