2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)

C100H74Ir4N6-6 — CID 159704939

About 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)

2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine) (PubChem CID 159704939) has the molecular formula C100H74Ir4N6-6 and a molecular weight of 2128.60 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
• PubChem CID: 159704939
• Molecular Formula: C100H74Ir4N6-6
• Molecular Weight: 2128.60 g/mol
• Exact Mass: 2130.45
• IUPAC Name: 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccn2)[c-]cc1-c1ccccc1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(C2c3ccccc3-c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C24H16N.3C18H14N.2C11H8N.4Ir/c1-3-12-21-19(10-1)20-11-2-4-13-22(20)24(21)18-9-7-8-17(16-18)23-14-5-6-15-25-23;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-19-18(13-16)15-8-3-2-4-9-15;1-14-13-16(18-9-5-6-12-19-18)10-11-17(14)15-7-3-2-4-8-15;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-7,9-16,24H;2-10,12-13H,1H3;2-8,10-13H,1H3;2-9,11-13H,1H3;2*1-6,8-9H;;;;/q6*-1
• InChIKey: TXOZJHYOVKUHFO-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2128.60
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)?

The IUPAC name of 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine) (CID 159704939) is 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine).

What is the SMILES notation for 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)?

The canonical SMILES for 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine) is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccn2)[c-]cc1-c1ccccc1.Cc1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(C2c3ccccc3-c3ccccc32)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)?

The InChIKey is TXOZJHYOVKUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N.3C18H14N.2C11H8N.4Ir/c1-3-12-21-19(10-1)20-11-2-4-13-22(20)24(21)18-9-7-8-17(16-18)23-14-5-6-15-25-23;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-19-18(13-16)15-8-3-2-4-9-15;1-14-13-16(18-9-5-6-12-19-18)10-11-17(14)15-7-3-2-4-8-15;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-7,9-16,24H;2-10,12-13H,1H3;2-8,10-13H,1H3;2-9,11-13H,1H3;2*1-6,8-9H;;;;/q6*-1;;;;.

What are the key properties of 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine)?

2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine) has a molecular weight of 2128.60 g/mol, XLogP of 24.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9H-fluoren-9-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-(3-methyl-4-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 159704939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).