bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine

C144H144Ir3N9O5S2-3 — CID 163933345

About bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine

bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine (PubChem CID 163933345) has the molecular formula C144H144Ir3N9O5S2-3 and a molecular weight of 2721.58 g/mol. Its IUPAC name is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine.

Molecular Properties

• Compound Name: bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine
• PubChem CID: 163933345
• Molecular Formula: C144H144Ir3N9O5S2-3
• Molecular Weight: 2721.58 g/mol
• Exact Mass: 2721.96
• IUPAC Name: bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine
• SMILES: C.C.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(C)sc23)cc(C)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1
• InChI: InChI=1S/C39H26N4.C22H18NS.C17H16NS.C17H12N.2C13H24O2.C11H8N.C10H8NO.2CH4.3Ir/c1-4-13-27(14-5-1)28-23-25-29(26-24-28)32-20-12-21-34-33-19-10-11-22-35(33)43(36(32)34)39-41-37(30-15-6-2-7-16-30)40-38(42-39)31-17-8-3-9-18-31;1-14-11-15(2)13-18(12-14)20-22-19(9-10-23-20)16(3)21(24-22)17-7-5-4-6-8-17;1-10-7-11(2)9-14(8-10)16-17-15(5-6-18-16)12(3)13(4)19-17;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;;;;/h1-26H;4-12H,1-3H3;5-8H,1-4H3;1-9,11-13H;2*9-11,14H,5-8H2,1-4H3;1-6,8-9H;1-6H,7H2;2*1H4;;;/q;3*-1;;;-1;+1
• InChIKey: QBIHEYNKMZENHI-UHFFFAOYSA-N
• XLogP: 38.24
• TPSA: 182.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2721.58
LogP ≤ 5	38.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine?

The IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine (CID 163933345) is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine.

What is the SMILES notation for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine?

The canonical SMILES for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine is C.C.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(C)sc23)cc(C)c1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1.

What is the InChIKey of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine?

The InChIKey is QBIHEYNKMZENHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4.C22H18NS.C17H16NS.C17H12N.2C13H24O2.C11H8N.C10H8NO.2CH4.3Ir/c1-4-13-27(14-5-1)28-23-25-29(26-24-28)32-20-12-21-34-33-19-10-11-22-35(33)43(36(32)34)39-41-37(30-15-6-2-7-16-30)40-38(42-39)31-17-8-3-9-18-31;1-14-11-15(2)13-18(12-14)20-22-19(9-10-23-20)16(3)21(24-22)17-7-5-4-6-8-17;1-10-7-11(2)9-14(8-10)16-17-15(5-6-18-16)12(3)13(4)19-17;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;;;;/h1-26H;4-12H,1-3H3;5-8H,1-4H3;1-9,11-13H;2*9-11,14H,5-8H2,1-4H3;1-6,8-9H;1-6H,7H2;2*1H4;;;/q;3*-1;;;-1;+1;;;;;.

What are the key properties of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine?

bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine has a molecular weight of 2721.58 g/mol, XLogP of 38.24, 25 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-2,3-dimethylthieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;tris(iridium);methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;4-phenyl-2-phenylpyridine;2-phenylpyridine is sourced from PubChem (CID 163933345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).