cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium

C48H58IrN2O2-2 — CID 168815726

About cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium

cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium (PubChem CID 168815726) has the molecular formula C48H58IrN2O2-2 and a molecular weight of 887.22 g/mol. Its IUPAC name is cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium.

Molecular Properties

• Compound Name: cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium
• PubChem CID: 168815726
• Molecular Formula: C48H58IrN2O2-2
• Molecular Weight: 887.22 g/mol
• Exact Mass: 887.41
• IUPAC Name: cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium
• SMILES: CCC(CC)C(=O)/C=C(\[N-]C1CCCCC1)C(CC)CC.Cc1cc(C)c2c(C)cc(-c3[c-]ccc4c3C(C)(C)c3c-4oc4ccccc34)nc2c1.[Ir]
• InChI: InChI=1S/C29H24NO.C19H35NO.Ir/c1-16-13-17(2)25-18(3)15-22(30-23(25)14-16)19-10-8-11-21-26(19)29(4,5)27-20-9-6-7-12-24(20)31-28(21)27;1-5-15(6-2)18(14-19(21)16(7-3)8-4)20-17-12-10-9-11-13-17;/h6-9,11-15H,1-5H3;14-17H,5-13H2,1-4H3,(H,20,21);/q-1;;/p-1
• InChIKey: RRTOSFSIWOMLQI-UHFFFAOYSA-M
• XLogP: 13.70
• TPSA: 57.20 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.22
LogP ≤ 5	13.70
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium?

The IUPAC name of cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium (CID 168815726) is cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium.

What is the SMILES notation for cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium?

The canonical SMILES for cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium is CCC(CC)C(=O)/C=C(\[N-]C1CCCCC1)C(CC)CC.Cc1cc(C)c2c(C)cc(-c3[c-]ccc4c3C(C)(C)c3c-4oc4ccccc34)nc2c1.[Ir].

What is the InChIKey of cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium?

The InChIKey is RRTOSFSIWOMLQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H24NO.C19H35NO.Ir/c1-16-13-17(2)25-18(3)15-22(30-23(25)14-16)19-10-8-11-21-26(19)29(4,5)27-20-9-6-7-12-24(20)31-28(21)27;1-5-15(6-2)18(14-19(21)16(7-3)8-4)20-17-12-10-9-11-13-17;/h6-9,11-15H,1-5H3;14-17H,5-13H2,1-4H3,(H,20,21);/q-1;;/p-1.

What are the key properties of cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium?

cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium has a molecular weight of 887.22 g/mol, XLogP of 13.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(Z)-3,7-diethyl-6-oxonon-4-en-4-yl]azanide;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-4,5,7-trimethylquinoline;iridium is sourced from PubChem (CID 168815726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).