iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane

C52H54IrN2OSi-2 — CID 169038589

About iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane

iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane (PubChem CID 169038589) has the molecular formula C52H54IrN2OSi-2 and a molecular weight of 943.32 g/mol. Its IUPAC name is iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 169038589
• Molecular Formula: C52H54IrN2OSi-2
• Molecular Weight: 943.32 g/mol
• Exact Mass: 943.36
• IUPAC Name: iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane
• SMILES: CC(C)c1cc(-c2[c-]ccc3c2CCCC3)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccc(-c4cccc5c4CCCC5)cc32)c1-c1nccc2c1CCCC2
• InChI: InChI=1S/C31H26NO.C21H28NSi.Ir/c1-3-10-23-20(7-1)9-5-12-24(23)22-15-16-29-28(19-22)26-13-6-14-27(31(26)33-29)30-25-11-4-2-8-21(25)17-18-32-30;1-15(2)19-13-20(22-14-21(19)23(3,4)5)18-12-8-10-16-9-6-7-11-17(16)18;/h5-6,9,12-13,15-19H,1-4,7-8,10-11H2;8,10,13-15H,6-7,9,11H2,1-5H3;/q2*-1
• InChIKey: VJAHIEHFPICWAJ-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.32
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane (CID 169038589) is iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane is CC(C)c1cc(-c2[c-]ccc3c2CCCC3)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccc(-c4cccc5c4CCCC5)cc32)c1-c1nccc2c1CCCC2.

What is the InChIKey of iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

The InChIKey is VJAHIEHFPICWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26NO.C21H28NSi.Ir/c1-3-10-23-20(7-1)9-5-12-24(23)22-15-16-29-28(19-22)26-13-6-14-27(31(26)33-29)30-25-11-4-2-8-21(25)17-18-32-30;1-15(2)19-13-20(22-14-21(19)23(3,4)5)18-12-8-10-16-9-6-7-11-17(16)18;/h5-6,9,12-13,15-19H,1-4,7-8,10-11H2;8,10,13-15H,6-7,9,11H2,1-5H3;/q2*-1;.

What are the key properties of iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane has a molecular weight of 943.32 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-propan-2-yl-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 169038589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).