10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C158H127F7Ir12N14O4S4-12 — CID 158931378

About 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine

10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158931378) has the molecular formula C158H127F7Ir12N14O4S4-12 and a molecular weight of 4853.71 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 158931378
• Molecular Formula: C158H127F7Ir12N14O4S4-12
• Molecular Weight: 4853.71 g/mol
• Exact Mass: 4860.46
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: CC.CC.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.COC.COC.Cc1c[c-]c(-c2ccccn2)n1C.FC(F)(F)c1ccc[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C20H17N2O2S.C15H10N.2C13H8NS.C13H8N.C12H7F3N.2C11H6F2N.C11H11N2.2C11H8N.C9H6NS.2C2H6O.2C2H6.12Ir/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-9-6-7-11(13(9)2)10-5-3-4-8-12-10;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-3-2;2*1-2;;;;;;;;;;;;/h5-10,12H,3-4H2,1-2H3;1-6,8-11H;1-8H;1-6,8-9H;1-5,7-9H;1-4,6-8H;2*1-4,6-7H;3-6,8H,1-2H3;2*1-6,8-9H;1-4,6-7H;2*1-2H3;2*1-2H3;;;;;;;;;;;;/q12*-1
• InChIKey: VHFXZQYISPVSRB-UHFFFAOYSA-N
• XLogP: 40.81
• TPSA: 211.52 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4853.71
LogP ≤ 5	40.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158931378) is 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC.CC.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.COC.COC.Cc1c[c-]c(-c2ccccn2)n1C.FC(F)(F)c1ccc[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is VHFXZQYISPVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O2S.C15H10N.2C13H8NS.C13H8N.C12H7F3N.2C11H6F2N.C11H11N2.2C11H8N.C9H6NS.2C2H6O.2C2H6.12Ir/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-9-6-7-11(13(9)2)10-5-3-4-8-12-10;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-3-2;2*1-2;;;;;;;;;;;;/h5-10,12H,3-4H2,1-2H3;1-6,8-11H;1-8H;1-6,8-9H;1-5,7-9H;1-4,6-8H;2*1-4,6-7H;3-6,8H,1-2H3;2*1-6,8-9H;1-4,6-7H;2*1-2H3;2*1-2H3;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;.

What are the key properties of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 4853.71 g/mol, XLogP of 40.81, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;dodecakis(iridium);methoxymethane;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-phenylquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158931378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).