copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

C74H76Cu2N14O7S — CID 157205240

About copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one (PubChem CID 157205240) has the molecular formula C74H76Cu2N14O7S and a molecular weight of 1432.67 g/mol. Its IUPAC name is copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
• PubChem CID: 157205240
• Molecular Formula: C74H76Cu2N14O7S
• Molecular Weight: 1432.67 g/mol
• Exact Mass: 1430.43
• IUPAC Name: copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
• SMILES: CC.CC.CC.CC.COCCS(=O)(=O)c1cc(O)c(/N=N\c2c(C)cc3ccc(/N=N/c4c(C)[nH]n(-c5ccc(C)cc5)c4=O)cc3c2O)cc1OC.[CH2-][n+]1c2nc3[n-]c(nc4[n+]([CH2-])c(nc5[n-]c(nc1-c1ccccc1-2)c1ccccc51)-c1ccccc1-4)c1ccccc31.[Cu+2].[Cu]
• InChI: InChI=1S/C34H20N8.C32H32N6O7S.4C2H6.2Cu/c1-41-31-23-15-7-8-16-24(23)32(41)38-28-20-12-4-6-14-22(20)30(36-28)40-34-26-18-10-9-17-25(26)33(42(34)2)39-29-21-13-5-3-11-19(21)27(35-29)37-31;1-18-6-10-23(11-7-18)38-32(41)30(20(3)37-38)36-33-22-9-8-21-14-19(2)29(31(40)24(21)15-22)35-34-25-16-27(45-5)28(17-26(25)39)46(42,43)13-12-44-4;4*1-2;;/h3-18H,1-2H2;6-11,14-17,37,39-40H,12-13H2,1-5H3;4*1-2H3;;/q-2;;;;;;;+2/b;35-34-,36-33+
• InChIKey: UBRPEZVDEKCXIW-LEPJJFFHSA-N
• XLogP: 16.21
• TPSA: 267.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.67
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?

The IUPAC name of copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one (CID 157205240) is copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one.

What is the SMILES notation for copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?

The canonical SMILES for copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one is CC.CC.CC.CC.COCCS(=O)(=O)c1cc(O)c(/N=N\c2c(C)cc3ccc(/N=N/c4c(C)[nH]n(-c5ccc(C)cc5)c4=O)cc3c2O)cc1OC.[CH2-][n+]1c2nc3[n-]c(nc4[n+]([CH2-])c(nc5[n-]c(nc1-c1ccccc1-2)c1ccccc51)-c1ccccc1-4)c1ccccc31.[Cu+2].[Cu].

What is the InChIKey of copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?

The InChIKey is UBRPEZVDEKCXIW-LEPJJFFHSA-N. The full InChI is InChI=1S/C34H20N8.C32H32N6O7S.4C2H6.2Cu/c1-41-31-23-15-7-8-16-24(23)32(41)38-28-20-12-4-6-14-22(20)30(36-28)40-34-26-18-10-9-17-25(26)33(42(34)2)39-29-21-13-5-3-11-19(21)27(35-29)37-31;1-18-6-10-23(11-7-18)38-32(41)30(20(3)37-38)36-33-22-9-8-21-14-19(2)29(31(40)24(21)15-22)35-34-25-16-27(45-5)28(17-26(25)39)46(42,43)13-12-44-4;4*1-2;;/h3-18H,1-2H2;6-11,14-17,37,39-40H,12-13H2,1-5H3;4*1-2H3;;/q-2;;;;;;;+2/b;35-34-,36-33+;;;;;;.

What are the key properties of copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one?

copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 1432.67 g/mol, XLogP of 16.21, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for copper;copper;37,39-dimethanidyl-2,11,20,29-tetraza-37,39-diazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;ethane;4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-(2-methoxyethylsulfonyl)phenyl]diazenyl]-6-methylnaphthalen-2-yl]diazenyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 157205240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).