bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C60H36F14Ir2N10-8 — CID 153425419

About bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 153425419) has the molecular formula C60H36F14Ir2N10-8 and a molecular weight of 1547.42 g/mol. Its IUPAC name is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

• Compound Name: bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• PubChem CID: 153425419
• Molecular Formula: C60H36F14Ir2N10-8
• Molecular Weight: 1547.42 g/mol
• Exact Mass: 1548.22
• IUPAC Name: bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• SMILES: CN1[CH-]N(c2[c-]cc(F)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(F)cc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.FC(F)(F)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].[Ir]
• InChI: InChI=1S/2C16H7F6N3.2C14H11FN2.2Ir/c2*17-15(18,19)10-6-4-9(5-7-10)11-2-1-3-12(23-11)13-8-14(25-24-13)16(20,21)22;2*1-16-10-17(12-8-6-11(15)7-9-12)14-5-3-2-4-13(14)16;;/h2*1-4,6-8H;2*2-8,10H,1H3;;/q4*-2
• InChIKey: PANIKRYOHPGFGL-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 92.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1547.42
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The IUPAC name of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 153425419) is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

What is the SMILES notation for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The canonical SMILES for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is CN1[CH-]N(c2[c-]cc(F)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(F)cc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.FC(F)(F)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].[Ir].

What is the InChIKey of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The InChIKey is PANIKRYOHPGFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H7F6N3.2C14H11FN2.2Ir/c2*17-15(18,19)10-6-4-9(5-7-10)11-2-1-3-12(23-11)13-8-14(25-24-13)16(20,21)22;2*1-16-10-17(12-8-6-11(15)7-9-12)14-5-3-2-4-13(14)16;;/h2*1-4,6-8H;2*2-8,10H,1H3;;/q4*-2;;.

What are the key properties of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 1547.42 g/mol, XLogP of 15.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-benzimidazol-2-ide);bis(iridium);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 153425419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).