2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine

C107H88FIr4N7O5S-6 — CID 158795556

About 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine (PubChem CID 158795556) has the molecular formula C107H88FIr4N7O5S-6 and a molecular weight of 2371.86 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine
• PubChem CID: 158795556
• Molecular Formula: C107H88FIr4N7O5S-6
• Molecular Weight: 2371.86 g/mol
• Exact Mass: 2373.51
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2oc3ccccc3c2cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2sccc12
• InChI: InChI=1S/C28H27N2.C17H11FN.C17H10NO.C13H8NS.2C11H8N.2C5H8O2.4Ir/c1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;18-16-9-6-13(7-10-16)15-8-11-17(19-12-15)14-4-2-1-3-5-14;1-2-6-12(7-3-1)15-10-17-14(11-18-15)13-8-4-5-9-16(13)19-17;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;/h7-12,14-16H,1-6H3;1-4,6-12H;1-6,8-11H;1-4,6-9H;2*1-6,8-9H;2*3,6H,1-2H3;;;;/q6*-1
• InChIKey: VJSGGULOLYZPFH-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 177.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2371.86
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine (CID 158795556) is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine.

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2oc3ccccc3c2cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2sccc12.

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine?

The InChIKey is VJSGGULOLYZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N2.C17H11FN.C17H10NO.C13H8NS.2C11H8N.2C5H8O2.4Ir/c1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;18-16-9-6-13(7-10-16)15-8-11-17(19-12-15)14-4-2-1-3-5-14;1-2-6-12(7-3-1)15-10-17-14(11-18-15)13-8-4-5-9-16(13)19-17;1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;/h7-12,14-16H,1-6H3;1-4,6-12H;1-6,8-11H;1-4,6-9H;2*1-6,8-9H;2*3,6H,1-2H3;;;;/q6*-1;;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine?

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine has a molecular weight of 2371.86 g/mol, XLogP of 26.86, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine is sourced from PubChem (CID 158795556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).