32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine

C100H90ClCu2N29O34S10Si2-4 — CID 160753154

About 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine

32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine (PubChem CID 160753154) has the molecular formula C100H90ClCu2N29O34S10Si2-4 and a molecular weight of 2781.38 g/mol. Its IUPAC name is 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine.

Molecular Properties

• Compound Name: 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine
• PubChem CID: 160753154
• Molecular Formula: C100H90ClCu2N29O34S10Si2-4
• Molecular Weight: 2781.38 g/mol
• Exact Mass: 2777.13
• IUPAC Name: 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine
• SMILES: CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCc1nc(N)nc(Nc2cc(NS(=O)(=O)c3cccc4c5nc6nc(nc7[n-]c(nc8nc(nc([n-]5)c34)-c3cccc(S(=O)(=O)O)c3-8)c3cccc(S(=O)(=O)O)c73)-c3cccc(S(=O)(=O)O)c3-6)ccc2S(=O)(=O)O)n1)(OCC)OCC.Nc1nc(Cl)nc(Nc2cc(NS(=O)(=O)c3cccc4c5nc6nc(nc7[n-]c(nc8nc(nc([n-]5)c34)-c3cccc(S(=O)(=O)O)c3-8)c3cccc(S(=O)(=O)O)c73)-c3cccc(S(=O)(=O)O)c3-6)ccc2S(=O)(=O)O)n1.[Cu].[Cu]
• InChI: InChI=1S/C50H44N14O17S5Si.C41H23ClN14O14S5.C9H23NO3Si.2Cu/c1-4-79-87(80-5-2,81-6-3)23-11-20-36-53-49(51)63-50(54-36)52-30-24-25(21-22-31(30)83(67,68)69)64-82(65,66)32-16-7-12-26-37(32)45-55-41(26)57-46-39-28(14-9-18-34(39)85(73,74)75)43(59-46)61-48-40-29(15-10-19-35(40)86(76,77)78)44(62-48)60-47-38-27(42(56-45)58-47)13-8-17-33(38)84(70,71)72;42-39-53-40(43)55-41(54-39)44-21-15-16(13-14-22(21)72(59,60)61)56-71(57,58)23-9-1-5-17-27(23)35-45-31(17)47-36-29-19(7-3-11-25(29)74(65,66)67)33(49-36)51-38-30-20(8-4-12-26(30)75(68,69)70)34(52-38)50-37-28-18(32(46-35)48-37)6-2-10-24(28)73(62,63)64;1-4-11-14(12-5-2,13-6-3)9-7-8-10;;/h7-10,12-19,21-22,24,64H,4-6,11,20,23H2,1-3H3,(H7-2,51,52,53,54,55,56,57,58,59,60,61,62,63,67,68,69,70,71,72,73,74,75,76,77,78);1-15,56H,(H7-2,43,44,45,46,47,48,49,50,51,52,53,54,55,59,60,61,62,63,64,65,66,67,68,69,70);4-10H2,1-3H3;;/q2*-2
• InChIKey: CNOIWCOPNBZCOT-UHFFFAOYSA-N
• XLogP: 10.86
• TPSA: 973.22 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 49
• Rotatable Bonds: 37
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.38
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine?

The IUPAC name of 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine (CID 160753154) is 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine.

What is the SMILES notation for 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine?

The canonical SMILES for 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCc1nc(N)nc(Nc2cc(NS(=O)(=O)c3cccc4c5nc6nc(nc7[n-]c(nc8nc(nc([n-]5)c34)-c3cccc(S(=O)(=O)O)c3-8)c3cccc(S(=O)(=O)O)c73)-c3cccc(S(=O)(=O)O)c3-6)ccc2S(=O)(=O)O)n1)(OCC)OCC.Nc1nc(Cl)nc(Nc2cc(NS(=O)(=O)c3cccc4c5nc6nc(nc7[n-]c(nc8nc(nc([n-]5)c34)-c3cccc(S(=O)(=O)O)c3-8)c3cccc(S(=O)(=O)O)c73)-c3cccc(S(=O)(=O)O)c3-6)ccc2S(=O)(=O)O)n1.[Cu].[Cu].

What is the InChIKey of 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine?

The InChIKey is CNOIWCOPNBZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N14O17S5Si.C41H23ClN14O14S5.C9H23NO3Si.2Cu/c1-4-79-87(80-5-2,81-6-3)23-11-20-36-53-49(51)63-50(54-36)52-30-24-25(21-22-31(30)83(67,68)69)64-82(65,66)32-16-7-12-26-37(32)45-55-41(26)57-46-39-28(14-9-18-34(39)85(73,74)75)43(59-46)61-48-40-29(15-10-19-35(40)86(76,77)78)44(62-48)60-47-38-27(42(56-45)58-47)13-8-17-33(38)84(70,71)72;42-39-53-40(43)55-41(54-39)44-21-15-16(13-14-22(21)72(59,60)61)56-71(57,58)23-9-1-5-17-27(23)35-45-31(17)47-36-29-19(7-3-11-25(29)74(65,66)67)33(49-36)51-38-30-20(8-4-12-26(30)75(68,69)70)34(52-38)50-37-28-18(32(46-35)48-37)6-2-10-24(28)73(62,63)64;1-4-11-14(12-5-2,13-6-3)9-7-8-10;;/h7-10,12-19,21-22,24,64H,4-6,11,20,23H2,1-3H3,(H7-2,51,52,53,54,55,56,57,58,59,60,61,62,63,67,68,69,70,71,72,73,74,75,76,77,78);1-15,56H,(H7-2,43,44,45,46,47,48,49,50,51,52,53,54,55,59,60,61,62,63,64,65,66,67,68,69,70);4-10H2,1-3H3;;/q2*-2;;;.

What are the key properties of 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine?

32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine has a molecular weight of 2781.38 g/mol, XLogP of 10.86, 37 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 32-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;32-[[3-[[4-amino-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]sulfamoyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-5,14,23-trisulfonic acid;copper;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 160753154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).