2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)

C261H204Ir4N8S-8 — CID 159190152

About 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)

2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine) (PubChem CID 159190152) has the molecular formula C261H204Ir4N8S-8 and a molecular weight of 4253.49 g/mol. Its IUPAC name is 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine).

Molecular Properties

• Compound Name: 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)
• PubChem CID: 159190152
• Molecular Formula: C261H204Ir4N8S-8
• Molecular Weight: 4253.49 g/mol
• Exact Mass: 4253.45
• IUPAC Name: 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)ccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)ccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1cccc2c1-c1cc(-c3ccccn3)[c-]cc1C2(C)C.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1
• InChI: InChI=1S/C47H40N.C43H32N.C31H28NS.3C29H20N.C28H24N.C25H20N.4Ir/c1-32(2)42-22-13-23-43(33(3)4)47(42)45-31-39(25-26-44(45)40-20-12-21-41(30-40)46-24-8-9-27-48-46)38-19-11-18-37(29-38)36-17-10-16-35(28-36)34-14-6-5-7-15-34;1-30-12-8-13-31(2)43(30)41-29-37(23-24-40(41)38-20-11-21-39(28-38)42-22-6-7-25-44-42)36-19-10-18-35(27-36)34-17-9-16-33(26-34)32-14-4-3-5-15-32;1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;3*1-2-9-22(10-3-1)23-11-6-12-24(19-23)25-13-7-14-26(20-25)27-15-8-16-28(21-27)29-17-4-5-18-30-29;1-18-9-7-10-19(2)26(18)21-11-8-12-24-27(21)22-17-20(25-13-5-6-16-29-25)14-15-23(22)28(24,3)4;1-18-9-7-10-19(2)25(18)23-14-4-3-13-22(23)20-11-8-12-21(17-20)24-15-5-6-16-26-24;;;;/h5-20,22-33H,1-4H3;3-20,22-29H,1-2H3;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;3*1-15,17-21H;5-13,15-17H,1-4H3;3-11,13-17H,1-2H3;;;;/q8*-1
• InChIKey: MVAOIIAXRQHQAE-UHFFFAOYSA-N
• XLogP: 69.69
• TPSA: 103.12 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 40
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4253.49
LogP ≤ 5	69.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)?

The IUPAC name of 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine) (CID 159190152) is 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine).

What is the SMILES notation for 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)?

The canonical SMILES for 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine) is CC(C)c1cccc(C(C)C)c1-c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)ccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)ccc1-c1cc[c-]c(-c2ccccn2)c1.Cc1cccc(C)c1-c1cccc2c1-c1cc(-c3ccccn3)[c-]cc1C2(C)C.Cc1cccc(C)c1-c1ccccc1-c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1nc2ccccc2s1.

What is the InChIKey of 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)?

The InChIKey is MVAOIIAXRQHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N.C43H32N.C31H28NS.3C29H20N.C28H24N.C25H20N.4Ir/c1-32(2)42-22-13-23-43(33(3)4)47(42)45-31-39(25-26-44(45)40-20-12-21-41(30-40)46-24-8-9-27-48-46)38-19-11-18-37(29-38)36-17-10-16-35(28-36)34-14-6-5-7-15-34;1-30-12-8-13-31(2)43(30)41-29-37(23-24-40(41)38-20-11-21-39(28-38)42-22-6-7-25-44-42)36-19-10-18-35(27-36)34-17-9-16-33(26-34)32-14-4-3-5-15-32;1(4-12-24-13-6-3-7-14-24)2-5-15-25-16-10-17-26(22-25)27-18-11-19-28(23-27)31-32-29-20-8-9-21-30(29)33-31;3*1-2-9-22(10-3-1)23-11-6-12-24(19-23)25-13-7-14-26(20-25)27-15-8-16-28(21-27)29-17-4-5-18-30-29;1-18-9-7-10-19(2)26(18)21-11-8-12-24-27(21)22-17-20(25-13-5-6-16-29-25)14-15-23(22)28(24,3)4;1-18-9-7-10-19(2)25(18)23-14-4-3-13-22(23)20-11-8-12-21(17-20)24-15-5-6-16-26-24;;;;/h5-20,22-33H,1-4H3;3-20,22-29H,1-2H3;3,6-11,13-14,16-18,20-23H,1-2,4-5,12,15H2;3*1-15,17-21H;5-13,15-17H,1-4H3;3-11,13-17H,1-2H3;;;;/q8*-1;;;;.

What are the key properties of 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine)?

2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine) has a molecular weight of 4253.49 g/mol, XLogP of 69.69, 40 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[2,6-di(propan-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;tris(2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine) is sourced from PubChem (CID 159190152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).