4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate

C136H120N22O2PdPt3S2 — CID 157264628

About 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate

4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate (PubChem CID 157264628) has the molecular formula C136H120N22O2PdPt3S2 and a molecular weight of 2850.40 g/mol. Its IUPAC name is 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate.

Molecular Properties

• Compound Name: 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate
• PubChem CID: 157264628
• Molecular Formula: C136H120N22O2PdPt3S2
• Molecular Weight: 2850.40 g/mol
• Exact Mass: 2847.74
• IUPAC Name: 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate
• SMILES: CC1(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2cccc(c2O)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2cccc(c2O)-c2cn(-c3ccccc3)c1n2.CC1(C)c2cccc(c2[S-])-c2cn(-c3ccccc3)c(n2)C(C)(C)c2cccc(c2[S-])-c2cn(-c3ccccc3)c1n2.Cc1nc2[n-]c1C(C)(C)c1nc(cn1-c1ccccc1)-c1nc(C)c([n-]1)C(C)(C)c1nc-2cn1-c1ccccc1.[Pd+2].[Pt+2].[Pt+2].[Pt]
• InChI: InChI=1S/C36H32N4O2.C36H32N4S2.C32H30N8.C32H28N6.Pd.3Pt/c2*1-35(2)27-19-11-17-25(31(27)41)30-22-40(24-15-9-6-10-16-24)34(38-30)36(3,4)28-20-12-18-26(32(28)42)29-21-39(33(35)37-29)23-13-7-5-8-14-23;1-19-25-31(3,4)29-36-24(18-39(29)21-13-9-7-10-14-21)28-34-20(2)26(38-28)32(5,6)30-35-23(27(33-19)37-25)17-40(30)22-15-11-8-12-16-22;1-31(2)27-17-15-23(33-27)26-20-38(22-13-9-6-10-14-22)30(36-26)32(3,4)28-18-16-24(34-28)25-19-37(29(31)35-25)21-11-7-5-8-12-21;;;;/h2*5-22,41-42H,1-4H3;7-18H,1-6H3;5-20H,1-4H3;;;;/q;;2*-2;+2;;2*+2/p-2
• InChIKey: XMNWZJSPZFBJOA-UHFFFAOYSA-L
• XLogP: 27.88
• TPSA: 265.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2850.40
LogP ≤ 5	27.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate?

The IUPAC name of 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate (CID 157264628) is 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate.

What is the SMILES notation for 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate?

The canonical SMILES for 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate is CC1(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2cccc(c2O)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2cccc(c2O)-c2cn(-c3ccccc3)c1n2.CC1(C)c2cccc(c2[S-])-c2cn(-c3ccccc3)c(n2)C(C)(C)c2cccc(c2[S-])-c2cn(-c3ccccc3)c1n2.Cc1nc2[n-]c1C(C)(C)c1nc(cn1-c1ccccc1)-c1nc(C)c([n-]1)C(C)(C)c1nc-2cn1-c1ccccc1.[Pd+2].[Pt+2].[Pt+2].[Pt].

What is the InChIKey of 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate?

The InChIKey is XMNWZJSPZFBJOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H32N4O2.C36H32N4S2.C32H30N8.C32H28N6.Pd.3Pt/c2*1-35(2)27-19-11-17-25(31(27)41)30-22-40(24-15-9-6-10-16-24)34(38-30)36(3,4)28-20-12-18-26(32(28)42)29-21-39(33(35)37-29)23-13-7-5-8-14-23;1-19-25-31(3,4)29-36-24(18-39(29)21-13-9-7-10-14-21)28-34-20(2)26(38-28)32(5,6)30-35-23(27(33-19)37-25)17-40(30)22-15-11-8-12-16-22;1-31(2)27-17-15-23(33-27)26-20-38(22-13-9-6-10-14-22)30(36-26)32(3,4)28-18-16-24(34-28)25-19-37(29(31)35-25)21-11-7-5-8-12-21;;;;/h2*5-22,41-42H,1-4H3;7-18H,1-6H3;5-20H,1-4H3;;;;/q;;2*-2;+2;;2*+2/p-2.

What are the key properties of 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate?

4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate has a molecular weight of 2850.40 g/mol, XLogP of 27.88, 8 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6,6,13,15,15-hexamethyl-8,17-diphenyl-3,8,12,17,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,4,7(21),9,11,13,16(19)-octaene;palladium(2+);platinum;bis(platinum(2+));6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-dithiolate is sourced from PubChem (CID 157264628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).