iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile

C46H43GeIrN3O-2 — CID 166575981

About iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile

iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile (PubChem CID 166575981) has the molecular formula C46H43GeIrN3O-2 and a molecular weight of 918.70 g/mol. Its IUPAC name is iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile.

Molecular Properties

• Compound Name: iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile
• PubChem CID: 166575981
• Molecular Formula: C46H43GeIrN3O-2
• Molecular Weight: 918.70 g/mol
• Exact Mass: 920.23
• IUPAC Name: iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cc(C#N)cc2)nc1.Cc1cnc(-c2[c-]cc3oc4cc(-c5cccc6c5CCCC6)ccc4c3c2)cc1C(C)C.[Ir]
• InChI: InChI=1S/C31H28NO.C15H15GeN2.Ir/c1-19(2)27-17-29(32-18-20(27)3)23-12-14-30-28(15-23)26-13-11-22(16-31(26)33-30)25-10-6-8-21-7-4-5-9-24(21)25;1-16(2,3)14-8-9-15(18-11-14)13-6-4-12(10-17)5-7-13;/h6,8,10-11,13-19H,4-5,7,9H2,1-3H3;4-6,8-9,11H,1-3H3;/q2*-1
• InChIKey: AFAKBGSGLDLPFH-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 62.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.70
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile?

The IUPAC name of iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile (CID 166575981) is iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile.

What is the SMILES notation for iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile?

The canonical SMILES for iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile is C[Ge](C)(C)c1ccc(-c2[c-]cc(C#N)cc2)nc1.Cc1cnc(-c2[c-]cc3oc4cc(-c5cccc6c5CCCC6)ccc4c3c2)cc1C(C)C.[Ir].

What is the InChIKey of iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile?

The InChIKey is AFAKBGSGLDLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NO.C15H15GeN2.Ir/c1-19(2)27-17-29(32-18-20(27)3)23-12-14-30-28(15-23)26-13-11-22(16-31(26)33-30)25-10-6-8-21-7-4-5-9-24(21)25;1-16(2,3)14-8-9-15(18-11-14)13-6-4-12(10-17)5-7-13;/h6,8,10-11,13-19H,4-5,7,9H2,1-3H3;4-6,8-9,11H,1-3H3;/q2*-1;.

What are the key properties of iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile?

iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile has a molecular weight of 918.70 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;5-methyl-4-propan-2-yl-2-[7-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carbonitrile is sourced from PubChem (CID 166575981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).