9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum

C142H123BCu3N13O3P3Pt- — CID 162168922

About 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum

9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum (PubChem CID 162168922) has the molecular formula C142H123BCu3N13O3P3Pt- and a molecular weight of 2549.08 g/mol. Its IUPAC name is 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum.

Molecular Properties

• Compound Name: 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum
• PubChem CID: 162168922
• Molecular Formula: C142H123BCu3N13O3P3Pt-
• Molecular Weight: 2549.08 g/mol
• Exact Mass: 2545.67
• IUPAC Name: 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum
• SMILES: C1=CB2c3cccc[n+]3CN2C=C1.CC(=O)C=C(C)O.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[Pt].[c-]1ccccc1-c1ccccn1.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C36H28OP2.C20H15N2.C17H20NP.C16H11N2.C14H12N.C13H9N4.C11H8N.C10H10BN2.C5H8O2.3Cu.Pt/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-9-16(10-3-1)22-19-13-7-6-12-18(19)21-14-15-8-4-5-11-17(15)20(21)22;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-2-7-14-13(6-1)17-9-8-11-4-3-5-12-10-18(14)16(17)15(11)12;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-12-9-13-8-4-2-6-11(13)10(12)5-1;1-4(6)3-5(2)7;;;;/h1-28H;1-13H,14H2;4-11,13,19H,3,12H2,1-2H3;1-9H,10H2;3-10H,1-2H2;1-9H;1-6,8-9H;1-8H,9H2;3,6H,1-2H3;;;;/q;+1;-2;+1;-3;2*-1;+1;;;;+1;/p+2
• InChIKey: MDRZUIPBHXOPTR-UHFFFAOYSA-P
• XLogP: 28.66
• TPSA: 164.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2549.08
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum?

The IUPAC name of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum (CID 162168922) is 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum.

What is the SMILES notation for 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum?

The canonical SMILES for 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum is C1=CB2c3cccc[n+]3CN2C=C1.CC(=O)C=C(C)O.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[Pt].[c-]1ccccc1-c1ccccn1.c1cc2c3c(c1)ccn1c4ccccc4[n+](c31)C2.c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1.c1ccc(-n2c3[n+](c4ccccc42)Cc2ccccc2-3)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum?

The InChIKey is MDRZUIPBHXOPTR-UHFFFAOYSA-P. The full InChI is InChI=1S/C36H28OP2.C20H15N2.C17H20NP.C16H11N2.C14H12N.C13H9N4.C11H8N.C10H10BN2.C5H8O2.3Cu.Pt/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-9-16(10-3-1)22-19-13-7-6-12-18(19)21-14-15-8-4-5-11-17(15)20(21)22;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-2-7-14-13(6-1)17-9-8-11-4-3-5-12-10-18(14)16(17)15(11)12;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-12-9-13-8-4-2-6-11(13)10(12)5-1;1-4(6)3-5(2)7;;;;/h1-28H;1-13H,14H2;4-11,13,19H,3,12H2,1-2H3;1-9H,10H2;3-10H,1-2H2;1-9H;1-6,8-9H;1-8H,9H2;3,6H,1-2H3;;;;/q;+1;-2;+1;-3;2*-1;+1;;;;+1;/p+2.

What are the key properties of 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum?

9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum has a molecular weight of 2549.08 g/mol, XLogP of 28.66, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-aza-7-azonia-1-boratricyclo[7.4.0.02,7]trideca-2,4,6,10,12-pentaene;8-aza-1-azoniapentacyclo[13.2.1.02,7.08,17.011,16]octadeca-1(17),2,4,6,9,11(16),12,14-octaene;bis(2-methanidylphenyl)azanide;copper;copper(1+);[2-(2-diphenylphosphaniumylphenoxy)phenyl]-diphenylphosphanium;4-hydroxypent-3-en-2-one;(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-phenyl-11H-isoindolo[2,1-a]benzimidazol-10-ium;2-phenylpyridine;platinum is sourced from PubChem (CID 162168922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).