nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene

C118H110N16NiO2PdPt2S4 — CID 157057398

About nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene

nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene (PubChem CID 157057398) has the molecular formula C118H110N16NiO2PdPt2S4 and a molecular weight of 2467.82 g/mol. Its IUPAC name is nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene.

Molecular Properties

• Compound Name: nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene
• PubChem CID: 157057398
• Molecular Formula: C118H110N16NiO2PdPt2S4
• Molecular Weight: 2467.82 g/mol
• Exact Mass: 2464.56
• IUPAC Name: nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene
• SMILES: CC1(C)C=C2N=C1c1ccc([n-]1)C(C)(C)C1=CC(C)(C)C(=N1)c1ccc([n-]1)C2(C)C.CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2O)C(C)(C)c2cn(-c3ccccc3)c(n2)-c2cccc1c2O.CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2[S-])C(C)(C)c2cn(-c3ccccc3)c(n2)-c2cccc1c2[S-].CC1(C)c2csc(n2)-c2ccc([n-]2)C(C)(C)c2csc(n2)-c2ccc1[n-]2.[Ni+2].[Pd+2].[Pt+2].[Pt]
• InChI: InChI=1S/C36H32N4O2.C36H32N4S2.C26H30N4.C20H18N4S2.Ni.Pd.2Pt/c2*1-35(2)27-19-11-17-25(31(27)41)34-38-30(22-40(34)24-15-9-6-10-16-24)36(3,4)28-20-12-18-26(32(28)42)33-37-29(35)21-39(33)23-13-7-5-8-14-23;1-23(2)13-19-25(5,6)17-12-10-16(28-17)22-24(3,4)14-20(30-22)26(7,8)18-11-9-15(27-18)21(23)29-19;1-19(2)13-7-5-11(21-13)18-24-16(10-26-18)20(3,4)14-8-6-12(22-14)17-23-15(19)9-25-17;;;;/h2*5-22,41-42H,1-4H3;9-14H,1-8H3;5-10H,1-4H3;;;;/q;;2*-2;2*+2;;+2/p-2
• InChIKey: BFQUYXZJRUROEB-UHFFFAOYSA-L
• XLogP: 26.04
• TPSA: 218.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2467.82
LogP ≤ 5	26.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene?

The IUPAC name of nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene (CID 157057398) is nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene.

What is the SMILES notation for nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene?

The canonical SMILES for nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene is CC1(C)C=C2N=C1c1ccc([n-]1)C(C)(C)C1=CC(C)(C)C(=N1)c1ccc([n-]1)C2(C)C.CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2O)C(C)(C)c2cn(-c3ccccc3)c(n2)-c2cccc1c2O.CC1(C)c2cn(-c3ccccc3)c(n2)-c2cccc(c2[S-])C(C)(C)c2cn(-c3ccccc3)c(n2)-c2cccc1c2[S-].CC1(C)c2csc(n2)-c2ccc([n-]2)C(C)(C)c2csc(n2)-c2ccc1[n-]2.[Ni+2].[Pd+2].[Pt+2].[Pt].

What is the InChIKey of nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene?

The InChIKey is BFQUYXZJRUROEB-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H32N4O2.C36H32N4S2.C26H30N4.C20H18N4S2.Ni.Pd.2Pt/c2*1-35(2)27-19-11-17-25(31(27)41)34-38-30(22-40(34)24-15-9-6-10-16-24)36(3,4)28-20-12-18-26(32(28)42)33-37-29(35)21-39(33)23-13-7-5-8-14-23;1-23(2)13-19-25(5,6)17-12-10-16(28-17)22-24(3,4)14-20(30-22)26(7,8)18-11-9-15(27-18)21(23)29-19;1-19(2)13-7-5-11(21-13)18-24-16(10-26-18)20(3,4)14-8-6-12(22-14)17-23-15(19)9-25-17;;;;/h2*5-22,41-42H,1-4H3;9-14H,1-8H3;5-10H,1-4H3;;;;/q;;2*-2;2*+2;;+2/p-2.

What are the key properties of nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene?

nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene has a molecular weight of 2467.82 g/mol, XLogP of 26.04, 4 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for nickel(2+);6,6,9,9,15,15,18,18-octamethyl-19,21-diaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,7,10(21),11,13,16-octaene;palladium(2+);platinum;platinum(2+);6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-diol;6,6,16,16-tetramethyl-3,13-diphenyl-3,13,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2(24),4,7,9,11(23),12(22),14,17,19-decaene-21,23-dithiolate;6,6,15,15-tetramethyl-3,12-dithia-20,22-diaza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2(22),4,7,9,11(20),13,16-octaene is sourced from PubChem (CID 157057398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).