hexakis(1-benzylimidazole);manganese(2+);diperchlorate

C60H60Cl2MnN12O8 — CID 139081431

IUPAChexakis(1-benzylimidazole);manganese(2+);diperchlorate
SMILES[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/6C10H10N2.2ClHO4.Mn/c6*1-2-4-10(5-3-1)8-12-7-6-11-9-12;2*2-1(3,4)5;/h6*1-7,9H,8H2;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyRZWGTWPMYSZBOA-UHFFFAOYSA-L
MW1203.06 g/mol
LogP2.07
Rot. Bonds12

About hexakis(1-benzylimidazole);manganese(2+);diperchlorate

hexakis(1-benzylimidazole);manganese(2+);diperchlorate (PubChem CID 139081431) has the molecular formula C60H60Cl2MnN12O8 and a molecular weight of 1203.06 g/mol. Its IUPAC name is hexakis(1-benzylimidazole);manganese(2+);diperchlorate.

Molecular Properties

Compound Namehexakis(1-benzylimidazole);manganese(2+);diperchlorate
PubChem CID139081431
Molecular FormulaC60H60Cl2MnN12O8
Molecular Weight1203.06 g/mol
Exact Mass1201.34
IUPAC Namehexakis(1-benzylimidazole);manganese(2+);diperchlorate
SMILES[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/6C10H10N2.2ClHO4.Mn/c6*1-2-4-10(5-3-1)8-12-7-6-11-9-12;2*2-1(3,4)5;/h6*1-7,9H,8H2;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyRZWGTWPMYSZBOA-UHFFFAOYSA-L
XLogP2.07
TPSA291.40 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.06
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

10,17,34,41-Tetraza-7,20,31,44-tetrazoniaundecacyclo[44.2.2.22,5.212,15.222,25.226,29.236,39.17,10.117,20.131,34.141,44]tetrahexaconta-1(49),2(64),3,5(63),7(62),8,12,14,18,20(59),22,24,26(56),27,29(55),31(54),32,36(53),37,39(52),42,44(51),46(50),47,57,60-hexacosaene tetrachloride
CID 172451899
11,18,36,43-Tetraza-8,21,33,46-tetrazoniaundecacyclo[46.2.2.23,6.213,16.223,26.228,31.238,41.18,11.118,21.133,36.143,46]hexahexaconta-1(50),3(66),4,6(65),8(64),9,13(63),14,16(62),19,21(61),23(60),24,26(59),28,30,33(56),34,38,40,44,46(53),48,51,54,57-hexacosaene tetrachloride
CID 172463600
1-Methyl-3-[[4-[tris[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]phenyl]methyl]imidazol-1-ium tetrachloride
CID 177648235
7,21,32,46-Tetraza-10,18,35,43-tetrazoniaundecacyclo[46.2.2.22,5.223,26.227,30.17,10.112,16.118,21.132,35.137,41.143,46]tetrahexaconta-1(51),2(64),3,5(63),8,10(62),12(61),13,15,18(60),19,23,25,27(57),28,30(56),33,35(55),37,39,41(54),43(53),44,48(52),49,58-hexacosaene tetrachloride
CID 178303218
38,39,41,42-Tetramethyl-6,10,24,28-tetraza-3,13,21,31-tetrazoniaheptacyclo[31.3.1.13,6.110,13.115,19.121,24.128,31]dotetraconta-1(37),3(42),4,11,13(41),15(40),16,18,21(39),22,29,31(38),33,35-tetradecaene tetrachloride
CID 178303691
8,22,34,48-Tetraza-11,19,37,45-tetrazoniaundecacyclo[48.2.2.23,6.224,27.229,32.18,11.113,17.119,22.134,37.139,43.145,48]hexahexaconta-1(52),3(66),4,6(65),9,11(64),13(63),14,16,19(62),20,24(61),25,27(60),29,31,35,37(57),39,41,43(56),45(55),46,50,53,58-hexacosaene tetrachloride
CID 178307008
37,38,41,42-Tetramethyl-6,10,23,27-tetraza-3,13,20,30-tetrazoniaheptacyclo[30.2.2.215,18.13,6.110,13.120,23.127,30]dotetraconta-1(34),3(42),4,11,13(41),15(40),16,18(39),20(38),21,28,30(37),32,35-tetradecaene tetrachloride
CID 178313482
1-Benzyl-3-methylimidazolium hexafluoroborate
CID 129864618
1-Benzyl-3-[[4-[[3-[2-[2-[2-[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium-1-yl]ethyl]phenyl]ethyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(chloromethyl)phenyl]methyl]imidazol-1-ium;1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;methane;tetrahydrochloride
CID 162064801
1-Benzyl-3-methylimidazol-3-ium;1,3-bis(prop-2-enyl)imidazol-1-ium;1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium;1-hexyl-3-methylimidazol-3-ium;1-methyl-3-octylimidazol-1-ium;1-methyl-3-prop-2-enylimidazol-1-ium
CID 157170175
1-Benzyl-3-methylimidazol-3-ium;1,3-bis(prop-2-enyl)imidazol-1-ium;1-butyl-2,3-dimethylimidazol-3-ium;1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium;1-hexyl-3-methylimidazol-3-ium;1-methyl-3-octylimidazol-1-ium;1-methyl-3-prop-2-enylimidazol-1-ium
CID 159389262
Bis(1-[(3-cyclohexyl-5-methylphenyl)methyl]imidazole);hexakis(1-methylimidazole);bis(1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole);bis(1-[(3-methyl-5-propylphenyl)methyl]imidazole);hexakis(2,2,2-trifluoroacetic acid);ZINC
CID 160295555

Frequently Asked Questions

What is the IUPAC name of hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
The IUPAC name of hexakis(1-benzylimidazole);manganese(2+);diperchlorate (CID 139081431) is hexakis(1-benzylimidazole);manganese(2+);diperchlorate.
What is the SMILES notation for hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
The canonical SMILES for hexakis(1-benzylimidazole);manganese(2+);diperchlorate is [Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
The InChIKey is RZWGTWPMYSZBOA-UHFFFAOYSA-L. The full InChI is InChI=1S/6C10H10N2.2ClHO4.Mn/c6*1-2-4-10(5-3-1)8-12-7-6-11-9-12;2*2-1(3,4)5;/h6*1-7,9H,8H2;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2.
What are the key properties of hexakis(1-benzylimidazole);manganese(2+);diperchlorate?
hexakis(1-benzylimidazole);manganese(2+);diperchlorate has a molecular weight of 1203.06 g/mol, XLogP of 2.07, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-benzylimidazole);manganese(2+);diperchlorate is sourced from PubChem (CID 139081431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).