copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol

C133H125CuN37O4Pt4S2 — CID 157377733

About copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol

copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol (PubChem CID 157377733) has the molecular formula C133H125CuN37O4Pt4S2 and a molecular weight of 3213.71 g/mol. Its IUPAC name is copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol.

Molecular Properties

• Compound Name: copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol
• PubChem CID: 157377733
• Molecular Formula: C133H125CuN37O4Pt4S2
• Molecular Weight: 3213.71 g/mol
• Exact Mass: 3210.80
• IUPAC Name: copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol
• SMILES: CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2O)-c2cccc(c2O)-c2nc1cn2-c1ccccc1.CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2O)C(C)(C)c2cccc(c2O)-c2nc1cn2-c1ccccc1.Cn1cc2nc1-c1cccc(c1[S-])C(C)(C)c1cccc(c1[S-])-c1nc(cn1N)-c1ccccc1-2.Cn1cc2nc1n(C)c1ncc([n-]1)n(C)c1cnc([n-]1)n(C)c1nc(cn1C)n2C.Cn1cc2nc1n(C)c1ncc([n-]1)n(C)c1cnc([n-]1)n(C)c1nc(cn1C)n2C.[Cu+2].[Pt+2].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/C36H32N4O2.C33H26N4O2.C28H25N5S2.2C18H22N12.Cu.4Pt/c1-35(2)27-19-11-17-25(31(27)41)33-37-29(21-39(33)23-13-7-5-8-14-23)36(3,4)30-22-40(24-15-9-6-10-16-24)34(38-30)26-18-12-20-28(35)32(26)42;1-33(2)27-19-36(21-11-5-3-6-12-21)31(34-27)25-17-9-15-23(29(25)38)24-16-10-18-26(30(24)39)32-35-28(33)20-37(32)22-13-7-4-8-14-22;1-28(2)20-12-6-10-18(24(20)34)26-30-22(14-32(26)3)16-8-4-5-9-17(16)23-15-33(29)27(31-23)19-11-7-13-21(28)25(19)35;2*1-25-9-13-23-17(25)29(5)15-19-7-11(21-15)27(3)12-8-20-16(22-12)30(6)18-24-14(28(13)4)10-26(18)2;;;;;/h5-22,41-42H,1-4H3;3-20,38-39H,1-2H3;4-15,34-35H,29H2,1-3H3;2*7-10H,1-6H3;;;;;/q;;;2*-2;+2;;;2*+2/p-2
• InChIKey: LSUCZYCSVJLKBX-UHFFFAOYSA-L
• XLogP: 21.59
• TPSA: 432.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 4
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3213.71
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol?

The IUPAC name of copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol (CID 157377733) is copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol.

What is the SMILES notation for copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol?

The canonical SMILES for copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol is CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2O)-c2cccc(c2O)-c2nc1cn2-c1ccccc1.CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2O)C(C)(C)c2cccc(c2O)-c2nc1cn2-c1ccccc1.Cn1cc2nc1-c1cccc(c1[S-])C(C)(C)c1cccc(c1[S-])-c1nc(cn1N)-c1ccccc1-2.Cn1cc2nc1n(C)c1ncc([n-]1)n(C)c1cnc([n-]1)n(C)c1nc(cn1C)n2C.Cn1cc2nc1n(C)c1ncc([n-]1)n(C)c1cnc([n-]1)n(C)c1nc(cn1C)n2C.[Cu+2].[Pt+2].[Pt+2].[Pt].[Pt].

What is the InChIKey of copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol?

The InChIKey is LSUCZYCSVJLKBX-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H32N4O2.C33H26N4O2.C28H25N5S2.2C18H22N12.Cu.4Pt/c1-35(2)27-19-11-17-25(31(27)41)33-37-29(21-39(33)23-13-7-5-8-14-23)36(3,4)30-22-40(24-15-9-6-10-16-24)34(38-30)26-18-12-20-28(35)32(26)42;1-33(2)27-19-36(21-11-5-3-6-12-21)31(34-27)25-17-9-15-23(29(25)38)24-16-10-18-26(30(24)39)32-35-28(33)20-37(32)22-13-7-4-8-14-22;1-28(2)20-12-6-10-18(24(20)34)26-30-22(14-32(26)3)16-8-4-5-9-17(16)23-15-33(29)27(31-23)19-11-7-13-21(28)25(19)35;2*1-25-9-13-23-17(25)29(5)15-19-7-11(21-15)27(3)12-8-20-16(22-12)30(6)18-24-14(28(13)4)10-26(18)2;;;;;/h5-22,41-42H,1-4H3;3-20,38-39H,1-2H3;4-15,34-35H,29H2,1-3H3;2*7-10H,1-6H3;;;;;/q;;;2*-2;+2;;;2*+2/p-2.

What are the key properties of copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol?

copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol has a molecular weight of 3213.71 g/mol, XLogP of 21.59, 4 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for copper;3-amino-14,21,21-trimethyl-3,14,28,29-tetrazahexacyclo[20.3.1.12,5.112,15.116,20.06,11]nonacosa-1(26),2(29),4,6,8,10,12,15(28),16(27),17,19,22,24-tridecaene-26,27-dithiolate;6,6-dimethyl-3,9-diphenyl-3,9,22,23-tetrazapentacyclo[14.3.1.12,5.17,10.111,15]tricosa-1(19),2(23),4,7,10(22),11,13,15(21),16(20),17-decaene-20,21-diol;bis(2,7,12,14,17,20-hexamethyl-2,4,7,10,12,14,17,20,21,22-decaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene);platinum;bis(platinum(2+));6,6,16,16-tetramethyl-3,9-diphenyl-3,9,23,24-tetrazapentacyclo[15.3.1.12,5.17,10.111,15]tetracosa-1(21),2(24),4,7,10(23),11(22),12,14,17,19-decaene-21,22-diol is sourced from PubChem (CID 157377733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).