3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium

C40H29F3IrN11Si-5 — CID 155645249

About 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium

3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium (PubChem CID 155645249) has the molecular formula C40H29F3IrN11Si-5 and a molecular weight of 941.05 g/mol. Its IUPAC name is 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium.

Molecular Properties

• Compound Name: 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium
• PubChem CID: 155645249
• Molecular Formula: C40H29F3IrN11Si-5
• Molecular Weight: 941.05 g/mol
• Exact Mass: 941.20
• IUPAC Name: 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium
• SMILES: CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)c[c-]c1n2-c1cccc([Si](C)(C)c2cc(C(F)(F)F)n[n-]2)n1.[Ir]
• InChI: InChI=1S/C25H15F3N6Si.C15H14N5.Ir/c1-30-16-8-10-20-18(12-16)17-11-15(14-29)7-9-19(17)34(20)22-5-4-6-23(31-22)35(2,3)24-13-21(32-33-24)25(26,27)28;1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;/h4-8,10-13H,2-3H3;3-8,11-12H,1-2H3;/q-2;-3
• InChIKey: DFRIJNGXBAXKQF-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 109.71 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.05
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium?

The IUPAC name of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium (CID 155645249) is 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium.

What is the SMILES notation for 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium?

The canonical SMILES for 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)c[c-]c1n2-c1cccc([Si](C)(C)c2cc(C(F)(F)F)n[n-]2)n1.[Ir].

What is the InChIKey of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium?

The InChIKey is DFRIJNGXBAXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N6Si.C15H14N5.Ir/c1-30-16-8-10-20-18(12-16)17-11-15(14-29)7-9-19(17)34(20)22-5-4-6-23(31-22)35(2,3)24-13-21(32-33-24)25(26,27)28;1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;/h4-8,10-13H,2-3H3;3-8,11-12H,1-2H3;/q-2;-3;.

What are the key properties of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium?

3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium has a molecular weight of 941.05 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;9-[6-[dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silyl]-2-pyridinyl]-6-isocyano-1H-carbazol-1-ide-3-carbonitrile;iridium is sourced from PubChem (CID 155645249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).