6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium

C43H49IrN3OSi-2 — CID 155611996

About 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium

6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 155611996) has the molecular formula C43H49IrN3OSi-2 and a molecular weight of 851.23 g/mol. Its IUPAC name is 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 155611996
• Molecular Formula: C43H49IrN3OSi-2
• Molecular Weight: 851.23 g/mol
• Exact Mass: 851.37
• IUPAC Name: 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3cc(C([2H])([2H])C(C)C)ccn3)cc12.[2H]C([2H])(c1cc(-c2[c-]cc3c(c2)CCCC3)ncc1[Si](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C22H30NSi.C21H19N2O.Ir/c1-16(2)12-20-14-21(23-15-22(20)24(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;1-13(2)10-15-8-9-22-19(11-15)16-5-7-20-18(12-16)17-6-4-14(3)23-21(17)24-20;/h10,13-16H,6-9,12H2,1-5H3;4,6-9,11-13H,10H2,1-3H3;/q2*-1;/i12D2;3D3,10D2
• InChIKey: PFBQWAOPBGJHOV-YUVREIQUSA-N
• XLogP: 10.52
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.23
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 155611996) is 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium is [2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3cc(C([2H])([2H])C(C)C)ccn3)cc12.[2H]C([2H])(c1cc(-c2[c-]cc3c(c2)CCCC3)ncc1[Si](C)(C)C)C(C)C.[Ir].

What is the InChIKey of 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is PFBQWAOPBGJHOV-YUVREIQUSA-N. The full InChI is InChI=1S/C22H30NSi.C21H19N2O.Ir/c1-16(2)12-20-14-21(23-15-22(20)24(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;1-13(2)10-15-8-9-22-19(11-15)16-5-7-20-18(12-16)17-6-4-14(3)23-21(17)24-20;/h10,13-16H,6-9,12H2,1-5H3;4,6-9,11-13H,10H2,1-3H3;/q2*-1;/i12D2;3D3,10D2;.

What are the key properties of 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 851.23 g/mol, XLogP of 10.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 155611996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).