2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)

C212H162Ir5N10-10 — CID 157452310

About 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)

2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine) (PubChem CID 157452310) has the molecular formula C212H162Ir5N10-10 and a molecular weight of 3810.78 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)
• PubChem CID: 157452310
• Molecular Formula: C212H162Ir5N10-10
• Molecular Weight: 3810.78 g/mol
• Exact Mass: 3812.12
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)cc21.CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)c21.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/4C32H24N.C26H20N.3C12H10N.2C11H8N.5Ir/c2*1-32(2)29-14-4-3-11-27(29)28-13-8-12-26(31(28)32)23-18-16-22(17-19-23)24-9-7-10-25(21-24)30-15-5-6-20-33-30;2*1-32(2)29-11-4-3-10-27(29)28-18-17-25(21-30(28)32)23-15-13-22(14-16-23)24-8-7-9-26(20-24)31-12-5-6-19-33-31;1-26(2)23-11-4-3-10-21(23)22-14-13-19(17-24(22)26)18-8-7-9-20(16-18)25-12-5-6-15-27-25;3*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*3-9,11-21H,1-2H3;2*3-8,10-21H,1-2H3;3-8,10-17H,1-2H3;3*2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1
• InChIKey: UNAQEHMTAIABBG-UHFFFAOYSA-N
• XLogP: 52.94
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3810.78
LogP ≤ 5	52.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)?

The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine) (CID 157452310) is 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine).

What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)?

The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine) is CC1(C)c2ccccc2-c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)cc21.CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3)c21.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)?

The InChIKey is UNAQEHMTAIABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H24N.C26H20N.3C12H10N.2C11H8N.5Ir/c2*1-32(2)29-14-4-3-11-27(29)28-13-8-12-26(31(28)32)23-18-16-22(17-19-23)24-9-7-10-25(21-24)30-15-5-6-20-33-30;2*1-32(2)29-11-4-3-10-27(29)28-18-17-25(21-30(28)32)23-15-13-22(14-16-23)24-8-7-9-26(20-24)31-12-5-6-19-33-31;1-26(2)23-11-4-3-10-21(23)22-14-13-19(17-24(22)26)18-8-7-9-20(16-18)25-12-5-6-15-27-25;3*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*3-9,11-21H,1-2H3;2*3-8,10-21H,1-2H3;3-8,10-17H,1-2H3;3*2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1;;;;;.

What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)?

2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine) has a molecular weight of 3810.78 g/mol, XLogP of 52.94, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine) is sourced from PubChem (CID 157452310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).