10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine

C114H92Ir3N8O5S-6 — CID 157371705

About 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine

10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine (PubChem CID 157371705) has the molecular formula C114H92Ir3N8O5S-6 and a molecular weight of 2265.78 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
• PubChem CID: 157371705
• Molecular Formula: C114H92Ir3N8O5S-6
• Molecular Weight: 2265.78 g/mol
• Exact Mass: 2266.60
• IUPAC Name: 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
• SMILES: CC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4nccc5sccc45)[c-]ccc32)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccc4ccccc4n3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1nccc3occc13)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C29H23N2OS.C24H19N2O.C19H10NO3.C17H18N.C14H14N.C11H8N.3Ir/c1-29(2,3)19-11-13-20(14-12-19)31-23-8-4-5-10-25(23)32-28-22(7-6-9-24(28)31)27-21-16-18-33-26(21)15-17-30-27;1-15-11-14-22-23(16(15)2)27-24-18(8-6-10-21(24)26(22)3)20-13-12-17-7-4-5-9-19(17)25-20;1-2-6-16-15(5-1)22-17-7-3-4-13(19(17)23-16)18-12-9-11-21-14(12)8-10-20-18;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-6,8-18H,1-3H3;4-7,9-14H,1-3H3;1-3,5-11H;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;1-6,8-9H;;;/q6*-1;;;/i;3D3
• InChIKey: ZBHVTGVGOVVUFC-SFIDRKBKSA-N
• XLogP: 30.63
• TPSA: 133.88 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2265.78
LogP ≤ 5	30.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?

The IUPAC name of 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine (CID 157371705) is 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine.

What is the SMILES notation for 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?

The canonical SMILES for 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine is CC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4nccc5sccc45)[c-]ccc32)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccc4ccccc4n3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1nccc3occc13)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?

The InChIKey is ZBHVTGVGOVVUFC-SFIDRKBKSA-N. The full InChI is InChI=1S/C29H23N2OS.C24H19N2O.C19H10NO3.C17H18N.C14H14N.C11H8N.3Ir/c1-29(2,3)19-11-13-20(14-12-19)31-23-8-4-5-10-25(23)32-28-22(7-6-9-24(28)31)27-21-16-18-33-26(21)15-17-30-27;1-15-11-14-22-23(16(15)2)27-24-18(8-6-10-21(24)26(22)3)20-13-12-17-7-4-5-9-19(17)25-20;1-2-6-16-15(5-1)22-17-7-3-4-13(19(17)23-16)18-12-9-11-21-14(12)8-10-20-18;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-6,8-18H,1-3H3;4-7,9-14H,1-3H3;1-3,5-11H;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;1-6,8-9H;;;/q6*-1;;;/i;3D3;;;;;;;.

What are the key properties of 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?

10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine has a molecular weight of 2265.78 g/mol, XLogP of 30.63, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 157371705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).