copper;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(2+);bis(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)

C96H86CuN20PdPt — CID 161448845

About copper;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(2+);bis(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)

copper;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(2+);bis(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) (PubChem CID 161448845) has the molecular formula C96H86CuN20PdPt and a molecular weight of 1884.93 g/mol. Its IUPAC name is copper;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(2+);bis(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).

Molecular Properties

• Compound Name: copper;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(2+);bis(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)
• PubChem CID: 161448845
• Molecular Formula: C96H86CuN20PdPt
• Molecular Weight: 1884.93 g/mol
• Exact Mass: 1882.53
• IUPAC Name: copper;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(2+);bis(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)
• SMILES: CC1(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c1n2.Cc1nc2[n-]c1C(C)(C)c1nc(cn1-c1ccccc1)-c1nc(C)c([n-]1)C(C)(C)c1nc-2cn1-c1ccccc1.[Cu+2].[Pd+2].[Pt+2]
• InChI: InChI=1S/C32H30N8.2C32H28N6.Cu.Pd.Pt/c1-19-25-31(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;2*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;;;/h7-18H,1-6H3;2*5-20H,1-4H3;;;/q3*-2;3*+2
• InChIKey: WAGGWPSWZXAVJL-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 217.30 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.93
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of copper;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(2+);bis(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)?

The IUPAC name of copper;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(2+);bis(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) (CID 161448845) is copper;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(2+);bis(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).

What is the SMILES notation for copper;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(2+);bis(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)?

The canonical SMILES for copper;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(2+);bis(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) is CC1(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2ccc([n-]2)-c2cn(-c3ccccc3)c1n2.Cc1nc2[n-]c1C(C)(C)c1nc(cn1-c1ccccc1)-c1nc(C)c([n-]1)C(C)(C)c1nc-2cn1-c1ccccc1.[Cu+2].[Pd+2].[Pt+2].

What is the InChIKey of copper;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(2+);bis(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)?

The InChIKey is WAGGWPSWZXAVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8.2C32H28N6.Cu.Pd.Pt/c1-19-25-31(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;2*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;;;/h7-18H,1-6H3;2*5-20H,1-4H3;;;/q3*-2;3*+2.

What are the key properties of copper;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(2+);bis(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)?

copper;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(2+);bis(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) has a molecular weight of 1884.93 g/mol, XLogP of 18.21, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for copper;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(2+);bis(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) is sourced from PubChem (CID 161448845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).