iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane

C41H42GeIrN2OSi-2 — CID 164832379

About iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane

iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane (PubChem CID 164832379) has the molecular formula C41H42GeIrN2OSi-2 and a molecular weight of 871.71 g/mol. Its IUPAC name is iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane.

Molecular Properties

• Compound Name: iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane
• PubChem CID: 164832379
• Molecular Formula: C41H42GeIrN2OSi-2
• Molecular Weight: 871.71 g/mol
• Exact Mass: 873.19
• IUPAC Name: iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane
• SMILES: CC(C)c1ccnc(-c2[c-]cc3oc4c5ccccc5c([Ge](C)(C)C)cc4c3c2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C27H26GeNO.C14H16NSi.Ir/c1-17(2)18-12-13-29-25(15-18)19-10-11-26-22(14-19)23-16-24(28(3,4)5)20-8-6-7-9-21(20)27(23)30-26;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-9,11-17H,1-5H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: QNNRWMYWQSYBGY-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.71
LogP ≤ 5	10.36
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-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane?

The IUPAC name of iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane (CID 164832379) is iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane.

What is the SMILES notation for iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane?

The canonical SMILES for iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane is CC(C)c1ccnc(-c2[c-]cc3oc4c5ccccc5c([Ge](C)(C)C)cc4c3c2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane?

The InChIKey is QNNRWMYWQSYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26GeNO.C14H16NSi.Ir/c1-17(2)18-12-13-29-25(15-18)19-10-11-26-22(14-19)23-16-24(28(3,4)5)20-8-6-7-9-21(20)27(23)30-26;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-9,11-17H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane?

iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane has a molecular weight of 871.71 g/mol, XLogP of 10.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane is sourced from PubChem (CID 164832379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).