bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)

C136H88Ir2N12O4RhS2+3 — CID 162022968

About bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)

bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+) (PubChem CID 162022968) has the molecular formula C136H88Ir2N12O4RhS2+3 and a molecular weight of 2505.75 g/mol. Its IUPAC name is bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+).

Molecular Properties

• Compound Name: bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)
• PubChem CID: 162022968
• Molecular Formula: C136H88Ir2N12O4RhS2+3
• Molecular Weight: 2505.75 g/mol
• Exact Mass: 2505.48
• IUPAC Name: bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)
• SMILES: O=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.O=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.[Ir+3].[Ir+3].[Rh+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/2C24H16N2.2C16H8NO2S.C12H8N2.4C11H8N.2Ir.Rh/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;2*18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-16H;2*1-8H;1-8H;4*1-6,8-9H;;;/q;;2*-1;;4*-1;3*+3
• InChIKey: YAMPXZVXMXBFCV-UHFFFAOYSA-N
• XLogP: 32.94
• TPSA: 215.10 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2505.75
LogP ≤ 5	32.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)?

The IUPAC name of bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+) (CID 162022968) is bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+).

What is the SMILES notation for bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)?

The canonical SMILES for bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+) is O=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.O=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.[Ir+3].[Ir+3].[Rh+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)?

The InChIKey is YAMPXZVXMXBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.2C16H8NO2S.C12H8N2.4C11H8N.2Ir.Rh/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;2*18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-16H;2*1-8H;1-8H;4*1-6,8-9H;;;/q;;2*-1;;4*-1;3*+3.

What are the key properties of bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)?

bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+) has a molecular weight of 2505.75 g/mol, XLogP of 32.94, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+) is sourced from PubChem (CID 162022968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).