10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole

C138H88F3IrN11O10Pt4S3-2 — CID 157119098

About 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole

10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole (PubChem CID 157119098) has the molecular formula C138H88F3IrN11O10Pt4S3-2 and a molecular weight of 3186.01 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
• PubChem CID: 157119098
• Molecular Formula: C138H88F3IrN11O10Pt4S3-2
• Molecular Weight: 3186.01 g/mol
• Exact Mass: 3184.41
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
• SMILES: CCN(CC)c1ccc2[c-]c(-c3ccccn3)c(=O)oc2c1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.O=c1oc2ccccc2[c-]c1-c1ccc2ccccc2n1.O=c1oc2ccccc2[c-]c1-c1ccccn1.O=c1oc2ccccc2[c-]c1-c1ccccn1.O=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1nc2ccccc2s1
• InChI: InChI=1S/C18H17N2O2.C18H10NO2.C16H8NO2S.2C14H8NO2.C13H8N.C12H7F3N.C11H6NS2.2C11H8N.Ir.4Pt/c1-3-20(4-2)14-9-8-13-11-15(16-7-5-6-10-19-16)18(21)22-17(13)12-14;20-18-14(11-13-6-2-4-8-17(13)21-18)16-10-9-12-5-1-3-7-15(12)19-16;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;2*16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h5-10,12H,3-4H2,1-2H3;1-10H;1-8H;2*1-8H;1-5,7-9H;1-4,6-8H;1-5,7H;2*1-6,8-9H;;;;;/q10*-1;;4*+2
• InChIKey: PQXGCDDEAGGPHI-UHFFFAOYSA-N
• XLogP: 32.16
• TPSA: 283.19 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3186.01
LogP ≤ 5	32.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole (CID 157119098) is 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole.

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole is CCN(CC)c1ccc2[c-]c(-c3ccccn3)c(=O)oc2c1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.O=c1oc2ccccc2[c-]c1-c1ccc2ccccc2n1.O=c1oc2ccccc2[c-]c1-c1ccccn1.O=c1oc2ccccc2[c-]c1-c1ccccn1.O=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1nc2ccccc2s1.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole?

The InChIKey is PQXGCDDEAGGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O2.C18H10NO2.C16H8NO2S.2C14H8NO2.C13H8N.C12H7F3N.C11H6NS2.2C11H8N.Ir.4Pt/c1-3-20(4-2)14-9-8-13-11-15(16-7-5-6-10-19-16)18(21)22-17(13)12-14;20-18-14(11-13-6-2-4-8-17(13)21-18)16-10-9-12-5-1-3-7-15(12)19-16;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;2*16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h5-10,12H,3-4H2,1-2H3;1-10H;1-8H;2*1-8H;1-5,7-9H;1-4,6-8H;1-5,7H;2*1-6,8-9H;;;;;/q10*-1;;4*+2.

What are the key properties of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole?

10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole has a molecular weight of 3186.01 g/mol, XLogP of 32.16, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;7-(diethylamino)-3-pyridin-2-yl-4H-chromen-4-id-2-one;iridium;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine;tetrakis(platinum(2+));bis(3-pyridin-2-yl-4H-chromen-4-id-2-one);3-quinolin-2-yl-4H-chromen-4-id-2-one;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 157119098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).