iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane

C43H44GeIrN2SSi-2 — CID 164832333

About iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 164832333) has the molecular formula C43H44GeIrN2SSi-2 and a molecular weight of 913.82 g/mol. Its IUPAC name is iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 164832333
• Molecular Formula: C43H44GeIrN2SSi-2
• Molecular Weight: 913.82 g/mol
• Exact Mass: 915.18
• IUPAC Name: iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: CC(C)c1ccnc(-c2[c-]ccc3c2sc2c([Ge](C)(C)C)c(-c4ccccc4)ccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C29H28GeNS.C14H16NSi.Ir/c1-19(2)21-16-17-31-26(18-21)25-13-9-12-23-24-15-14-22(20-10-7-6-8-11-20)27(30(3,4)5)29(24)32-28(23)25;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-12,14-19H,1-5H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: RTJADWUZBDEYKT-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.82
LogP ≤ 5	11.34
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;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 164832333) is iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane is CC(C)c1ccnc(-c2[c-]ccc3c2sc2c([Ge](C)(C)C)c(-c4ccccc4)ccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is RTJADWUZBDEYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28GeNS.C14H16NSi.Ir/c1-19(2)21-16-17-31-26(18-21)25-13-9-12-23-24-15-14-22(20-10-7-6-8-11-20)27(30(3,4)5)29(24)32-28(23)25;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-12,14-19H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane?

iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 913.82 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 164832333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).