copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene

C112H74CuN34PdPt2S4-2 — CID 159871119

About copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene

copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene (PubChem CID 159871119) has the molecular formula C112H74CuN34PdPt2S4-2 and a molecular weight of 2584.45 g/mol. Its IUPAC name is copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene.

Molecular Properties

• Compound Name: copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene
• PubChem CID: 159871119
• Molecular Formula: C112H74CuN34PdPt2S4-2
• Molecular Weight: 2584.45 g/mol
• Exact Mass: 2581.34
• IUPAC Name: copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene
• SMILES: C1=C2[N-]/C(=C\c3cn(-c4ccccc4)c(n3)C3=CN(c4ccccc4)/C(=C/c4nc2cn4-c2ccccc2)[N-]3)N1c1ccccc1.C1=C2[N-]/C(=N\c3csc(n3)C3=CS/C(=N/c4nc2cs4)[N-]3)S1.C1=C2[N-]/C(=N\c3nc(cn3-c3ccccc3)C3=CN(c4ccccc4)/C(=N/c4nc2cn4-c2ccccc2)[N-]3)N1c1ccccc1.CN1C=C2[N-]/C1=N\C1=CN(c3ccccc3)/C(=c3\c[n+](C)/c([n-]3)=N/c3cn(-c4ccccc4)c2n3)[N-]1.[Cu+2].[Pd+2].[Pt+2].[Pt]
• InChI: InChI=1S/C38H26N8.C36H24N10.C26H20N10.C12H4N6S4.Cu.Pd.2Pt/c1-5-13-28(14-6-1)43-24-32-33-25-44(29-15-7-2-8-16-29)36(41-33)22-37-42-34(26-45(37)30-17-9-3-10-18-30)38-39-27(21-35(43)40-32)23-46(38)31-19-11-4-12-20-31;1-5-13-25(14-6-1)43-21-29-30-22-45(27-17-9-3-10-18-27)35(38-30)42-36-40-32(24-46(36)28-19-11-4-12-20-28)31-23-44(26-15-7-2-8-16-26)34(39-31)41-33(43)37-29;1-33-13-19-23-30-22(16-35(23)17-9-5-3-6-10-17)32-26-28-20(14-34(26)2)24-29-21(31-25(33)27-19)15-36(24)18-11-7-4-8-12-18;1-5-6-2-21-11(14-6)18-12-15-7(3-22-12)9-16-8(4-19-9)17-10(13-5)20-1;;;;/h1-26H;1-24H;3-16H,1-2H3;1-4H;;;;/q4*-2;2*+2;;+2/b35-21+,37-22+
• InChIKey: ALQKYZREBGSKPE-KTQRVPTJSA-N
• XLogP: 24.35
• TPSA: 339.26 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2584.45
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene?

The IUPAC name of copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene (CID 159871119) is copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene.

What is the SMILES notation for copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene?

The canonical SMILES for copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene is C1=C2[N-]/C(=C\c3cn(-c4ccccc4)c(n3)C3=CN(c4ccccc4)/C(=C/c4nc2cn4-c2ccccc2)[N-]3)N1c1ccccc1.C1=C2[N-]/C(=N\c3csc(n3)C3=CS/C(=N/c4nc2cs4)[N-]3)S1.C1=C2[N-]/C(=N\c3nc(cn3-c3ccccc3)C3=CN(c4ccccc4)/C(=N/c4nc2cn4-c2ccccc2)[N-]3)N1c1ccccc1.CN1C=C2[N-]/C1=N\C1=CN(c3ccccc3)/C(=c3\c[n+](C)/c([n-]3)=N/c3cn(-c4ccccc4)c2n3)[N-]1.[Cu+2].[Pd+2].[Pt+2].[Pt].

What is the InChIKey of copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene?

The InChIKey is ALQKYZREBGSKPE-KTQRVPTJSA-N. The full InChI is InChI=1S/C38H26N8.C36H24N10.C26H20N10.C12H4N6S4.Cu.Pd.2Pt/c1-5-13-28(14-6-1)43-24-32-33-25-44(29-15-7-2-8-16-29)36(41-33)22-37-42-34(26-45(37)30-17-9-3-10-18-30)38-39-27(21-35(43)40-32)23-46(38)31-19-11-4-12-20-31;1-5-13-25(14-6-1)43-21-29-30-22-45(27-17-9-3-10-18-27)35(38-30)42-36-40-32(24-46(36)28-19-11-4-12-20-28)31-23-44(26-15-7-2-8-16-26)34(39-31)41-33(43)37-29;1-33-13-19-23-30-22(16-35(23)17-9-5-3-6-10-17)32-26-28-20(14-34(26)2)24-29-21(31-25(33)27-19)15-36(24)18-11-7-4-8-12-18;1-5-6-2-21-11(14-6)18-12-15-7(3-22-12)9-16-8(4-19-9)17-10(13-5)20-1;;;;/h1-26H;1-24H;3-16H,1-2H3;1-4H;;;;/q4*-2;2*+2;;+2/b35-21+,37-22+;;;;;;;.

What are the key properties of copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene?

copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene has a molecular weight of 2584.45 g/mol, XLogP of 24.35, 10 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for copper;8,17-dimethyl-3,12-diphenyl-3,6,12,15,17,22-hexaza-8-azonia-19,20,21-triazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,8,10,13,15-octaene;palladium(2+);platinum;platinum(2+);3,8,13,17-tetraphenyl-3,8,13,17,20,22-hexaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene;4,8,13,17-tetraphenyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene;3,8,13,17-tetrathia-6,15,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,6,9,11,14(20),15-octaene is sourced from PubChem (CID 159871119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).