5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium

C56H50FIrN5O-2 — CID 164825221

About 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium

5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium (PubChem CID 164825221) has the molecular formula C56H50FIrN5O-2 and a molecular weight of 1023.28 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium
• PubChem CID: 164825221
• Molecular Formula: C56H50FIrN5O-2
• Molecular Weight: 1023.28 g/mol
• Exact Mass: 1023.38
• IUPAC Name: 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium
• SMILES: Cc1ccccc1-c1ccc2c(c1)oc1c(-c3nc4c5ccccc5nnc4n3-c3c(C(C)C)cccc3C(C)C)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C(C)(C)C)cn2)c(F)c1.[Ir]
• InChI: InChI=1S/C40H33N4O.C16H17FN.Ir/c1-23(2)27-15-10-16-28(24(3)4)37(27)44-39(41-36-32-14-8-9-19-34(32)42-43-40(36)44)33-18-11-17-31-30-21-20-26(22-35(30)45-38(31)33)29-13-7-6-12-25(29)5;1-11-5-7-13(14(17)9-11)15-8-6-12(10-18-15)16(2,3)4;/h6-17,19-24H,1-5H3;5-6,8-10H,1-4H3;/q2*-1;/i;1D3
• InChIKey: JKKOFSNQHBGDLN-ICMJTWPQSA-N
• XLogP: 14.85
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.28
LogP ≤ 5	14.85
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 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium?

The IUPAC name of 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium (CID 164825221) is 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium.

What is the SMILES notation for 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium?

The canonical SMILES for 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium is Cc1ccccc1-c1ccc2c(c1)oc1c(-c3nc4c5ccccc5nnc4n3-c3c(C(C)C)cccc3C(C)C)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C(C)(C)C)cn2)c(F)c1.[Ir].

What is the InChIKey of 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium?

The InChIKey is JKKOFSNQHBGDLN-ICMJTWPQSA-N. The full InChI is InChI=1S/C40H33N4O.C16H17FN.Ir/c1-23(2)27-15-10-16-28(24(3)4)37(27)44-39(41-36-32-14-8-9-19-34(32)42-43-40(36)44)33-18-11-17-31-30-21-20-26(22-35(30)45-38(31)33)29-13-7-6-12-25(29)5;1-11-5-7-13(14(17)9-11)15-8-6-12(10-18-15)16(2,3)4;/h6-17,19-24H,1-5H3;5-6,8-10H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium?

5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium has a molecular weight of 1023.28 g/mol, XLogP of 14.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;3-[2,6-di(propan-2-yl)phenyl]-2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]cinnoline;iridium is sourced from PubChem (CID 164825221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).