iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane

C29H34IrNOSi- — CID 164797041

About iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane

iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane (PubChem CID 164797041) has the molecular formula C29H34IrNOSi- and a molecular weight of 632.90 g/mol. Its IUPAC name is iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane.

Molecular Properties

• Compound Name: iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
• PubChem CID: 164797041
• Molecular Formula: C29H34IrNOSi-
• Molecular Weight: 632.90 g/mol
• Exact Mass: 633.20
• IUPAC Name: iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
• SMILES: CC1(C)CCC(C)(C)C1c1ccnc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)c1.[Ir]
• InChI: InChI=1S/C29H34NOSi.Ir/c1-28(2)15-16-29(3,4)27(28)19-14-17-30-22(18-19)20-12-13-24(32(5,6)7)25-21-10-8-9-11-23(21)31-26(20)25;/h8-11,13-14,17-18,27H,15-16H2,1-7H3;/q-1
• InChIKey: AHWIILUQGRXBQB-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.90
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?

The IUPAC name of iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane (CID 164797041) is iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane.

What is the SMILES notation for iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?

The canonical SMILES for iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane is CC1(C)CCC(C)(C)C1c1ccnc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)c1.[Ir].

What is the InChIKey of iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?

The InChIKey is AHWIILUQGRXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34NOSi.Ir/c1-28(2)15-16-29(3,4)27(28)19-14-17-30-22(18-19)20-12-13-24(32(5,6)7)25-21-10-8-9-11-23(21)31-26(20)25;/h8-11,13-14,17-18,27H,15-16H2,1-7H3;/q-1;.

What are the key properties of iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane?

iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane has a molecular weight of 632.90 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane is sourced from PubChem (CID 164797041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).