[4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium

C70H89GeIrN3OSi-2 — CID 168743662

About [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium

[4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium (PubChem CID 168743662) has the molecular formula C70H89GeIrN3OSi-2 and a molecular weight of 1290.47 g/mol. Its IUPAC name is [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium
• PubChem CID: 168743662
• Molecular Formula: C70H89GeIrN3OSi-2
• Molecular Weight: 1290.47 g/mol
• Exact Mass: 1291.62
• IUPAC Name: [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium
• SMILES: [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4c(C(C)C)cc(C5([2H])CCC(C)(C)CC5)cc4C(C)C)c(C([2H])([2H])[2H])cn3)[c-]cc([Ge](C)(C)C)c12.[2H]C([2H])(c1cc(-c2[c-]ccc(-c3ccc([Si](C)(C)C)cc3)c2)ncc1C(C)(C)C)C(C)(C)C.[Ir]
• InChI: InChI=1S/C41H51GeN2O.C29H38NSi.Ir/c1-24(2)32-20-29(28-16-18-41(7,8)19-17-28)21-33(25(3)4)37(32)34-22-36(43-23-26(34)5)30-14-15-35(42(9,10)11)38-31-13-12-27(6)44-40(31)45-39(30)38;1-28(2,3)19-24-18-27(30-20-26(24)29(4,5)6)23-12-10-11-22(17-23)21-13-15-25(16-14-21)31(7,8)9;/h12-13,15,20-25,28H,16-19H2,1-11H3;10-11,13-18,20H,19H2,1-9H3;/q2*-1;/i5D3,6D3,28D;19D2
• InChIKey: QBLHHZLWWQDUGJ-UMPQXGISSA-N
• XLogP: 19.25
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1290.47
LogP ≤ 5	19.25
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 [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium?

The IUPAC name of [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium (CID 168743662) is [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium.

What is the SMILES notation for [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium?

The canonical SMILES for [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4c(C(C)C)cc(C5([2H])CCC(C)(C)CC5)cc4C(C)C)c(C([2H])([2H])[2H])cn3)[c-]cc([Ge](C)(C)C)c12.[2H]C([2H])(c1cc(-c2[c-]ccc(-c3ccc([Si](C)(C)C)cc3)c2)ncc1C(C)(C)C)C(C)(C)C.[Ir].

What is the InChIKey of [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium?

The InChIKey is QBLHHZLWWQDUGJ-UMPQXGISSA-N. The full InChI is InChI=1S/C41H51GeN2O.C29H38NSi.Ir/c1-24(2)32-20-29(28-16-18-41(7,8)19-17-28)21-33(25(3)4)37(32)34-22-36(43-23-26(34)5)30-14-15-35(42(9,10)11)38-31-13-12-27(6)44-40(31)45-39(30)38;1-28(2,3)19-24-18-27(30-20-26(24)29(4,5)6)23-12-10-11-22(17-23)21-13-15-25(16-14-21)31(7,8)9;/h12-13,15,20-25,28H,16-19H2,1-11H3;10-11,13-18,20H,19H2,1-9H3;/q2*-1;/i5D3,6D3,28D;19D2;.

What are the key properties of [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium?

[4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium has a molecular weight of 1290.47 g/mol, XLogP of 19.25, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[5-tert-butyl-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-trimethylsilane;[8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylgermane;iridium is sourced from PubChem (CID 168743662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).