2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid

C130H98F5Ir4N11O11SSe3Si-4 — CID 159148934

About 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid

2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 159148934) has the molecular formula C130H98F5Ir4N11O11SSe3Si-4 and a molecular weight of 3151.17 g/mol. Its IUPAC name is 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid
• PubChem CID: 159148934
• Molecular Formula: C130H98F5Ir4N11O11SSe3Si-4
• Molecular Weight: 3151.17 g/mol
• Exact Mass: 3155.29
• IUPAC Name: 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid
• SMILES: CC1(C)c2ccccc2[Se]c2cc[c-]c(-c3cc4nccnc4cn3)c21.COc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.Fc1ccc([Si]2(c3ccc(F)cc3)c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2
• InChI: InChI=1S/C29H18F2NOSi.C24H14F3N2O.C22H16N3Se.C17H10NSe2.C11H9NO3S.C11H13NO2.C10H13NO2.C6H5NO2.4Ir/c30-20-11-15-22(16-12-20)34(23-17-13-21(31)14-18-23)27-9-2-1-8-26(27)33-29-24(6-5-10-28(29)34)25-7-3-4-19-32-25;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-22(2)15-7-3-4-8-19(15)26-20-9-5-6-14(21(20)22)16-12-17-18(13-25-16)24-11-10-23-17;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;;/h1-5,7-19H;1-5,7-15H;3-5,7-13H,1-2H3;1-5,7-11H;2-6H,1H3,(H,13,14);5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1
• InChIKey: IOGVAKRDQQWQRD-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 309.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3151.17
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?

The IUPAC name of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 159148934) is 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid.

What is the SMILES notation for 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?

The canonical SMILES for 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid is CC1(C)c2ccccc2[Se]c2cc[c-]c(-c3cc4nccnc4cn3)c21.COc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.Fc1ccc([Si]2(c3ccc(F)cc3)c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.

What is the InChIKey of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?

The InChIKey is IOGVAKRDQQWQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F2NOSi.C24H14F3N2O.C22H16N3Se.C17H10NSe2.C11H9NO3S.C11H13NO2.C10H13NO2.C6H5NO2.4Ir/c30-20-11-15-22(16-12-20)34(23-17-13-21(31)14-18-23)27-9-2-1-8-26(27)33-29-24(6-5-10-28(29)34)25-7-3-4-19-32-25;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-22(2)15-7-3-4-8-19(15)26-20-9-5-6-14(21(20)22)16-12-17-18(13-25-16)24-11-10-23-17;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;;/h1-5,7-19H;1-5,7-15H;3-5,7-13H,1-2H3;1-5,7-11H;2-6H,1H3,(H,13,14);5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;;/q4*-1;;;;;;;;.

What are the key properties of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?

2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 3151.17 g/mol, XLogP of 22.15, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 159148934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).