2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine

C145H89Ir4N17O4SSeSi-8 — CID 157246293

IUPAC2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine
SMILESCn1c2ccccc2c2c(-c3[c-]cccc3)nccc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1noc2ccccc12.[c-]1ccc2c([se]c3ccc(-c4cccnc4)cc32)c1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(-c4ccncc4)cc32)c1-c1ccccn1.[c-]1ncccc1-c1noc2ccccc12.[c-]1ncccc1-c1noc2ccncc12.[c-]1ncccc1-c1nsc2ccccc12
InChIInChI=1S/C27H18N3Si.C22H13N2O.C22H13N2Se.C21H12NO.C18H13N2.C12H7N2O.C12H7N2S.C11H6N3O.4Ir/c1-2-14-24-20(10-1)21-11-9-12-22(23-13-3-6-17-28-23)27(21)31(24,25-15-4-7-18-29-25)26-16-5-8-19-30-26;1-2-11-24-20(6-1)18-5-3-4-17-19-14-16(15-9-12-23-13-10-15)7-8-21(19)25-22(17)18;1-2-12-24-20(8-1)18-7-3-6-17-19-13-15(16-5-4-11-23-14-16)9-10-21(19)25-22(17)18;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-20-15-10-6-5-9-14(15)17-16(20)11-12-19-18(17)13-7-3-2-4-8-13;2*1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;;;;/h1-11,13-19H;1-4,6-14H;1-6,8-14H;1-10,12-13H;2-7,9-12H,1H3;2*1-7H;1-5,7H;;;;/q8*-1;;;;
InChIKeyFAQAARJWPHOSBR-UHFFFAOYSA-N
MW3041.40 g/mol
LogP30.90
Rot. Bonds12

About 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine

2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine (PubChem CID 157246293) has the molecular formula C145H89Ir4N17O4SSeSi-8 and a molecular weight of 3041.40 g/mol. Its IUPAC name is 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine.

Molecular Properties

Compound Name2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine
PubChem CID157246293
Molecular FormulaC145H89Ir4N17O4SSeSi-8
Molecular Weight3041.40 g/mol
Exact Mass3043.45
IUPAC Name2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine
SMILESCn1c2ccccc2c2c(-c3[c-]cccc3)nccc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1noc2ccccc12.[c-]1ccc2c([se]c3ccc(-c4cccnc4)cc32)c1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(-c4ccncc4)cc32)c1-c1ccccn1.[c-]1ncccc1-c1noc2ccccc12.[c-]1ncccc1-c1noc2ccncc12.[c-]1ncccc1-c1nsc2ccccc12
InChIInChI=1S/C27H18N3Si.C22H13N2O.C22H13N2Se.C21H12NO.C18H13N2.C12H7N2O.C12H7N2S.C11H6N3O.4Ir/c1-2-14-24-20(10-1)21-11-9-12-22(23-13-3-6-17-28-23)27(21)31(24,25-15-4-7-18-29-25)26-16-5-8-19-30-26;1-2-11-24-20(6-1)18-5-3-4-17-19-14-16(15-9-12-23-13-10-15)7-8-21(19)25-22(17)18;1-2-12-24-20(8-1)18-7-3-6-17-19-13-15(16-5-4-11-23-14-16)9-10-21(19)25-22(17)18;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-20-15-10-6-5-9-14(15)17-16(20)11-12-19-18(17)13-7-3-2-4-8-13;2*1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;;;;/h1-11,13-19H;1-4,6-14H;1-6,8-14H;1-10,12-13H;2-7,9-12H,1H3;2*1-7H;1-5,7H;;;;/q8*-1;;;;
InChIKeyFAQAARJWPHOSBR-UHFFFAOYSA-N
XLogP30.90
TPSA263.73 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003041.40
LogP ≤ 530.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
The IUPAC name of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine (CID 157246293) is 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine.
What is the SMILES notation for 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
The canonical SMILES for 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine is Cn1c2ccccc2c2c(-c3[c-]cccc3)nccc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1noc2ccccc12.[c-]1ccc2c([se]c3ccc(-c4cccnc4)cc32)c1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(-c4ccncc4)cc32)c1-c1ccccn1.[c-]1ncccc1-c1noc2ccccc12.[c-]1ncccc1-c1noc2ccncc12.[c-]1ncccc1-c1nsc2ccccc12.
What is the InChIKey of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
The InChIKey is FAQAARJWPHOSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N3Si.C22H13N2O.C22H13N2Se.C21H12NO.C18H13N2.C12H7N2O.C12H7N2S.C11H6N3O.4Ir/c1-2-14-24-20(10-1)21-11-9-12-22(23-13-3-6-17-28-23)27(21)31(24,25-15-4-7-18-29-25)26-16-5-8-19-30-26;1-2-11-24-20(6-1)18-5-3-4-17-19-14-16(15-9-12-23-13-10-15)7-8-21(19)25-22(17)18;1-2-12-24-20(8-1)18-7-3-6-17-19-13-15(16-5-4-11-23-14-16)9-10-21(19)25-22(17)18;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-20-15-10-6-5-9-14(15)17-16(20)11-12-19-18(17)13-7-3-2-4-8-13;2*1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;;;;/h1-11,13-19H;1-4,6-14H;1-6,8-14H;1-10,12-13H;2-7,9-12H,1H3;2*1-7H;1-5,7H;;;;/q8*-1;;;;.
What are the key properties of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine has a molecular weight of 3041.40 g/mol, XLogP of 30.90, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tetrakis(iridium);5-methyl-1-phenylpyrido[4,3-b]indole;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine is sourced from PubChem (CID 157246293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).