bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine

C156H104Ir3N12S2+3 — CID 157328794

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine (PubChem CID 157328794) has the molecular formula C156H104Ir3N12S2+3 and a molecular weight of 2787.42 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine.

Molecular Properties

• Compound Name: bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine
• PubChem CID: 157328794
• Molecular Formula: C156H104Ir3N12S2+3
• Molecular Weight: 2787.42 g/mol
• Exact Mass: 2787.68
• IUPAC Name: bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine
• SMILES: [Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/2C24H16N2.C22H16N2.4C15H10N.2C13H8NS.3Ir/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;;/h2*1-16H;1-16H;4*1-7,9-11H;2*1-8H;;;/q;;;6*-1;3*+3
• InChIKey: ZXRHCGRQGWMPMR-UHFFFAOYSA-N
• XLogP: 40.04
• TPSA: 154.68 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2787.42
LogP ≤ 5	40.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?

The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine (CID 157328794) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine.

What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?

The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine is [Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?

The InChIKey is ZXRHCGRQGWMPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C22H16N2.4C15H10N.2C13H8NS.3Ir/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;;/h2*1-16H;1-16H;4*1-7,9-11H;2*1-8H;;;/q;;;6*-1;3*+3.

What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine has a molecular weight of 2787.42 g/mol, XLogP of 40.04, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(4,7-diphenyl-1,10-phenanthroline);tris(iridium(3+));tetrakis(1-phenylisoquinoline);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine is sourced from PubChem (CID 157328794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).