1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C123H90F3Ir6N12OPt-11 — CID 157451063

About 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 157451063) has the molecular formula C123H90F3Ir6N12OPt-11 and a molecular weight of 3157.53 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 157451063
• Molecular Formula: C123H90F3Ir6N12OPt-11
• Molecular Weight: 3157.53 g/mol
• Exact Mass: 3160.48
• IUPAC Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C18H15N2.C16H12N2O.2C15H10N.C14H12N2.C12H7F3N.3C11H8N.6Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;/h3-7,9-12H,1-2H3;2-6,8-11H,1H3;2*1-7,9-11H;2-7,9-11H,1H3;1-4,6-8H;3*1-6,8-9H;;;;;;;/q-1;-2;2*-1;-2;4*-1
• InChIKey: KGSNHOBLMAIDIH-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 121.26 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3157.53
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 157451063) is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is KGSNHOBLMAIDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.C16H12N2O.2C15H10N.C14H12N2.C12H7F3N.3C11H8N.6Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;/h3-7,9-12H,1-2H3;2-6,8-11H,1H3;2*1-7,9-11H;2-7,9-11H,1H3;1-4,6-8H;3*1-6,8-9H;;;;;;;/q-1;-2;2*-1;-2;4*-1;;;;;;;.

What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 3157.53 g/mol, XLogP of 29.50, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 157451063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).