1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

C115H90Ir2N10S — CID 158889658

About 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (PubChem CID 158889658) has the molecular formula C115H90Ir2N10S and a molecular weight of 2035.60 g/mol. Its IUPAC name is 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
• PubChem CID: 158889658
• Molecular Formula: C115H90Ir2N10S
• Molecular Weight: 2035.60 g/mol
• Exact Mass: 2035.68
• IUPAC Name: 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc[n+]2c(n1)-c1ccccc1C2.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)C1.c1cc[n+]2c(c1)-c1c(ccc3c1sc1ccccc13)C2.c1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3)cc1
• InChI: InChI=1S/C18H12NS.2C18H14N.C15H13N2.C12H11N2.C12H10N.2C11H8N.2Ir/c1-2-7-16-13(5-1)14-9-8-12-11-19-10-4-3-6-15(19)17(12)18(14)20-16;1-2-6-14(7-3-1)15-9-10-16-13-19-11-5-4-8-18(19)17(16)12-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-9-6-7-14-8-10-4-2-3-5-11(10)12(14)13-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-10H,11H2;1-12H,13H2;2-10,12-13H,1H3;1-9,11-12H,13H2;2-7H,8H2,1H3;1-8H,9H2;2*1-6,8-9H;;/q2*+1;2*-1;2*+1;2*-1;;/i;;;;;1D,2D,3D,4D,5D,6D,7D
• InChIKey: RWULEQUHIZLDNQ-BBFWFZMCSA-N
• XLogP: 24.61
• TPSA: 73.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2035.60
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?

The IUPAC name of 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (CID 158889658) is 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.

What is the SMILES notation for 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?

The canonical SMILES for 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc[n+]2c(n1)-c1ccccc1C2.[2H]c1c[n+]2c(c([2H])c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)C1.c1cc[n+]2c(c1)-c1c(ccc3c1sc1ccccc13)C2.c1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3)cc1.

What is the InChIKey of 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?

The InChIKey is RWULEQUHIZLDNQ-BBFWFZMCSA-N. The full InChI is InChI=1S/C18H12NS.2C18H14N.C15H13N2.C12H11N2.C12H10N.2C11H8N.2Ir/c1-2-7-16-13(5-1)14-9-8-12-11-19-10-4-3-6-15(19)17(12)18(14)20-16;1-2-6-14(7-3-1)15-9-10-16-13-19-11-5-4-8-18(19)17(16)12-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-9-6-7-14-8-10-4-2-3-5-11(10)12(14)13-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-10H,11H2;1-12H,13H2;2-10,12-13H,1H3;1-9,11-12H,13H2;2-7H,8H2,1H3;1-8H,9H2;2*1-6,8-9H;;/q2*+1;2*-1;2*+1;2*-1;;/i;;;;;1D,2D,3D,4D,5D,6D,7D;;;;.

What are the key properties of 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?

1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene has a molecular weight of 2035.60 g/mol, XLogP of 24.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,7,8,9,10-heptadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazole;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is sourced from PubChem (CID 158889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).