iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

C47H42IrN2OSi-2 — CID 166575519

About iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 166575519) has the molecular formula C47H42IrN2OSi-2 and a molecular weight of 871.17 g/mol. Its IUPAC name is iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 166575519
• Molecular Formula: C47H42IrN2OSi-2
• Molecular Weight: 871.17 g/mol
• Exact Mass: 871.27
• IUPAC Name: iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1C1=NC=CC2CCCCC12
• InChI: InChI=1S/C27H22NO.C20H20NSi.Ir/c1-2-7-18(8-3-1)20-13-14-22-23-11-6-12-24(27(23)29-25(22)17-20)26-21-10-5-4-9-19(21)15-16-28-26;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h1-3,6-8,11,13-17,19,21H,4-5,9-10H2;4-10,12-15H,1-3H3;/q2*-1
• InChIKey: JHOJLPKODPEVDQ-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 38.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.17
LogP ≤ 5	11.93
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-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 166575519) is iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1C1=NC=CC2CCCCC12.

What is the InChIKey of iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is JHOJLPKODPEVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22NO.C20H20NSi.Ir/c1-2-7-18(8-3-1)20-13-14-22-23-11-6-12-24(27(23)29-25(22)17-20)26-21-10-5-4-9-19(21)15-16-28-26;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h1-3,6-8,11,13-17,19,21H,4-5,9-10H2;4-10,12-15H,1-3H3;/q2*-1;.

What are the key properties of iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 871.17 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4a,5,6,7,8,8a-hexahydroisoquinoline;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 166575519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).