copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)

C363H530Cu2MnN28O12S12 — CID 160818366

IUPACcopper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCSC.CCCCCCCCCCCCCCCCCCSC.CCCCCCCCCCCCCCCCCCSC.CSC.[Cu].[Cu].[Mn].c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12
InChIInChI=1S/3C32H16N8.4C26H45NOS.4C26H44O2S.3C19H40S.C2H6S.2Cu.Mn/c3*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-26(28)24-21-18-19-22-25(24)29-2;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)24-21-18-19-22-25(24)29-2;3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;1-3-2;;;/h3*1-16H;4*18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28);4*18-19,21-22H,3-17,20,23H2,1-2H3;3*3-19H2,1-2H3;1-2H3;;;/b3*37-25-,37-27-,38-26-,38-28-,39-29-,39-31-,40-30-,40-32-;;;;;;;;;;;;;;;
InChIKeySFFCCJFKNPDLIA-QURWKSIXSA-N
MW6045.25 g/mol
LogP107.19
Rot. Bonds203

About copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)

copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene) (PubChem CID 160818366) has the molecular formula C363H530Cu2MnN28O12S12 and a molecular weight of 6045.25 g/mol. Its IUPAC name is copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene).

Molecular Properties

Compound Namecopper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)
PubChem CID160818366
Molecular FormulaC363H530Cu2MnN28O12S12
Molecular Weight6045.25 g/mol
Exact Mass6038.63
IUPAC Namecopper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCSC.CCCCCCCCCCCCCCCCCCSC.CCCCCCCCCCCCCCCCCCSC.CSC.[Cu].[Cu].[Mn].c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12
InChIInChI=1S/3C32H16N8.4C26H45NOS.4C26H44O2S.3C19H40S.C2H6S.2Cu.Mn/c3*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-26(28)24-21-18-19-22-25(24)29-2;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)24-21-18-19-22-25(24)29-2;3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;1-3-2;;;/h3*1-16H;4*18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28);4*18-19,21-22H,3-17,20,23H2,1-2H3;3*3-19H2,1-2H3;1-2H3;;;/b3*37-25-,37-27-,38-26-,38-28-,39-29-,39-31-,40-30-,40-32-;;;;;;;;;;;;;;;
InChIKeySFFCCJFKNPDLIA-QURWKSIXSA-N
XLogP107.19
TPSA518.24 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds203
Heavy Atoms418
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006045.25
LogP ≤ 5107.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene) with MolForge

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Related Compounds

N-butyl-2-methylsulfanylbenzamide
CID 59510338
copper;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene
CID 161428600
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
CID 172705473
CID 172705473
N-pentyl-2-propylsulfanylbenzamide
CID 17310366
1-O-hexadecyl 2-O-(2-methoxyethyl) benzene-1,2-dicarboxylate
CID 6423568
2-O-decyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423868
diicosyl benzene-1,2-dicarboxylate
CID 22491819
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
ditridecyl benzene-1,2-dicarboxylate
CID 8379
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391

Frequently Asked Questions

What is the IUPAC name of copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)?
The IUPAC name of copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene) (CID 160818366) is copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene).
What is the SMILES notation for copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)?
The canonical SMILES for copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene) is CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1SC.CCCCCCCCCCCCCCCCCCSC.CCCCCCCCCCCCCCCCCCSC.CCCCCCCCCCCCCCCCCCSC.CSC.[Cu].[Cu].[Mn].c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.
What is the InChIKey of copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)?
The InChIKey is SFFCCJFKNPDLIA-QURWKSIXSA-N. The full InChI is InChI=1S/3C32H16N8.4C26H45NOS.4C26H44O2S.3C19H40S.C2H6S.2Cu.Mn/c3*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-26(28)24-21-18-19-22-25(24)29-2;4*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)24-21-18-19-22-25(24)29-2;3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;1-3-2;;;/h3*1-16H;4*18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28);4*18-19,21-22H,3-17,20,23H2,1-2H3;3*3-19H2,1-2H3;1-2H3;;;/b3*37-25-,37-27-,38-26-,38-28-,39-29-,39-31-,40-30-,40-32-;;;;;;;;;;;;;;;.
What are the key properties of copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene)?
copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene) has a molecular weight of 6045.25 g/mol, XLogP of 107.19, 203 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for copper;manganese;methylsulfanylmethane;tris(1-methylsulfanyloctadecane);tetrakis(2-methylsulfanyl-N-octadecylbenzamide);tetrakis(octadecyl 2-methylsulfanylbenzoate);tris(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-icosaene) is sourced from PubChem (CID 160818366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).