4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)

C128H89Ir3N11Pt-6 — CID 169431690

About 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)

4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+) (PubChem CID 169431690) has the molecular formula C128H89Ir3N11Pt-6 and a molecular weight of 2552.93 g/mol. Its IUPAC name is 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+).

Molecular Properties

• Compound Name: 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)
• PubChem CID: 169431690
• Molecular Formula: C128H89Ir3N11Pt-6
• Molecular Weight: 2552.93 g/mol
• Exact Mass: 2553.59
• IUPAC Name: 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1cc2c(cn1)[nH]c1cc3c(cc12)c1ccccc1n3-c1ccccc1.[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C30H19N3.C29H18N3.2C18H14N.3C11H8N.3Ir.Pt/c1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;1-3-9-19(10-4-1)25-16-23-22-15-24-21-13-7-8-14-28(21)32(20-11-5-2-6-12-20)29(24)17-26(22)31-27(23)18-30-25;2*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-8,10,12-17H,18-19H2;1-9,11-18,31H;2*2-10,12-13H,1H3;3*1-6,8-9H;;;;/q-2;6*-1;;;;+2
• InChIKey: XXYKBBFZKUDJPW-UHFFFAOYSA-N
• XLogP: 30.65
• TPSA: 127.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2552.93
LogP ≤ 5	30.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)?

The IUPAC name of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+) (CID 169431690) is 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+).

What is the SMILES notation for 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)?

The canonical SMILES for 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+) is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1cc2c(cn1)[nH]c1cc3c(cc12)c1ccccc1n3-c1ccccc1.[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)?

The InChIKey is XXYKBBFZKUDJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3.C29H18N3.2C18H14N.3C11H8N.3Ir.Pt/c1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;1-3-9-19(10-4-1)25-16-23-22-15-24-21-13-7-8-14-28(21)32(20-11-5-2-6-12-20)29(24)17-26(22)31-27(23)18-30-25;2*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-8,10,12-17H,18-19H2;1-9,11-18,31H;2*2-10,12-13H,1H3;3*1-6,8-9H;;;;/q-2;6*-1;;;;+2.

What are the key properties of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+)?

4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+) has a molecular weight of 2552.93 g/mol, XLogP of 30.65, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);bis(4-methyl-5-phenyl-2-phenylpyridine);14-phenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;tris(2-phenylpyridine);platinum(2+) is sourced from PubChem (CID 169431690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).