8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium

C55H45FIrN4OSi-2 — CID 156668476

About 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium

8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156668476) has the molecular formula C55H45FIrN4OSi-2 and a molecular weight of 1020.31 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156668476
• Molecular Formula: C55H45FIrN4OSi-2
• Molecular Weight: 1020.31 g/mol
• Exact Mass: 1020.32
• IUPAC Name: 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncc5ccccc5c34)nc3c4ccc5ccccc5c4ccc32)cc1.[2H]C([2H])([2H])c1cc[c-]c(-c2ccc([Si](C)(C)C)cn2)c1F.[Ir]
• InChI: InChI=1S/C40H28N3O.C15H17FNSi.Ir/c1-40(2,3)26-16-18-27(19-17-26)43-34-22-21-30-28-11-6-4-9-24(28)15-20-31(30)36(34)42-38(43)33-14-8-13-32-35-29-12-7-5-10-25(29)23-41-39(35)44-37(32)33;1-11-6-5-7-13(15(11)16)14-9-8-12(10-17-14)18(2,3)4;/h4-13,15-23H,1-3H3;5-6,8-10H,1-4H3;/q2*-1;/i;1D3
• InChIKey: YINBNMGQIGIPRG-ICMJTWPQSA-N
• XLogP: 14.08
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.31
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (CID 156668476) is 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncc5ccccc5c34)nc3c4ccc5ccccc5c4ccc32)cc1.[2H]C([2H])([2H])c1cc[c-]c(-c2ccc([Si](C)(C)C)cn2)c1F.[Ir].

What is the InChIKey of 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is YINBNMGQIGIPRG-ICMJTWPQSA-N. The full InChI is InChI=1S/C40H28N3O.C15H17FNSi.Ir/c1-40(2,3)26-16-18-27(19-17-26)43-34-22-21-30-28-11-6-4-9-24(28)15-20-31(30)36(34)42-38(43)33-14-8-13-32-35-29-12-7-5-10-25(29)23-41-39(35)44-37(32)33;1-11-6-5-7-13(15(11)16)14-9-8-12(10-17-14)18(2,3)4;/h4-13,15-23H,1-3H3;5-6,8-10H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1020.31 g/mol, XLogP of 14.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156668476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).