5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium

C49H44IrN2O-2 — CID 162503743

About 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium

5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium (PubChem CID 162503743) has the molecular formula C49H44IrN2O-2 and a molecular weight of 875.16 g/mol. Its IUPAC name is 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium.

Molecular Properties

• Compound Name: 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium
• PubChem CID: 162503743
• Molecular Formula: C49H44IrN2O-2
• Molecular Weight: 875.16 g/mol
• Exact Mass: 875.35
• IUPAC Name: 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium
• SMILES: [2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1C([2H])([2H])C(C)(C)C.[2H]C1(c2ccccc2)CC(C)(C)c2cnc(-c3[c-]cccc3)cc21.[Ir]
• InChI: InChI=1S/C27H24NO.C22H20N.Ir/c1-17-16-28-24(14-19(17)15-27(2,3)4)23-11-7-10-21-22-13-12-18-8-5-6-9-20(18)25(22)29-26(21)23;1-22(2)14-19(16-9-5-3-6-10-16)18-13-21(23-15-20(18)22)17-11-7-4-8-12-17;/h5-10,12-14,16H,15H2,1-4H3;3-11,13,15,19H,14H2,1-2H3;/q2*-1;/i1D3,15D2;19D
• InChIKey: DMSGHEBQSBJRTM-KHQFPRFQSA-N
• XLogP: 12.86
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.16
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium?

The IUPAC name of 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium (CID 162503743) is 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium.

What is the SMILES notation for 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium?

The canonical SMILES for 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium is [2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2c4ccccc4ccc32)cc1C([2H])([2H])C(C)(C)C.[2H]C1(c2ccccc2)CC(C)(C)c2cnc(-c3[c-]cccc3)cc21.[Ir].

What is the InChIKey of 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium?

The InChIKey is DMSGHEBQSBJRTM-KHQFPRFQSA-N. The full InChI is InChI=1S/C27H24NO.C22H20N.Ir/c1-17-16-28-24(14-19(17)15-27(2,3)4)23-11-7-10-21-22-13-12-18-8-5-6-9-20(18)25(22)29-26(21)23;1-22(2)14-19(16-9-5-3-6-10-16)18-13-21(23-15-20(18)22)17-11-7-4-8-12-17;/h5-10,12-14,16H,15H2,1-4H3;3-11,13,15,19H,14H2,1-2H3;/q2*-1;/i1D3,15D2;19D;.

What are the key properties of 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium?

5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium has a molecular weight of 875.16 g/mol, XLogP of 12.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-deuterio-7,7-dimethyl-5-phenyl-3-phenyl-6H-cyclopenta[c]pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium is sourced from PubChem (CID 162503743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).