iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine

C37H36IrN2-2 — CID 140789930

About iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine

iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine (PubChem CID 140789930) has the molecular formula C37H36IrN2-2 and a molecular weight of 700.93 g/mol. Its IUPAC name is iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine
• PubChem CID: 140789930
• Molecular Formula: C37H36IrN2-2
• Molecular Weight: 700.93 g/mol
• Exact Mass: 701.25
• IUPAC Name: iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccccc4)ccn3)[c-]cc21.Cc1cccnc1-c1[c-]cccc1.[Ir]
• InChI: InChI=1S/C25H26N.C12H10N.Ir/c1-24(2)13-14-25(3,4)22-16-20(10-11-21(22)24)23-17-19(12-15-26-23)18-8-6-5-7-9-18;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h5-9,11-12,15-17H,13-14H2,1-4H3;2-7,9H,1H3;/q2*-1
• InChIKey: JFFFXCMZQJTAPG-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.93
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?

The IUPAC name of iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine (CID 140789930) is iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine.

What is the SMILES notation for iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?

The canonical SMILES for iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine is CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccccc4)ccn3)[c-]cc21.Cc1cccnc1-c1[c-]cccc1.[Ir].

What is the InChIKey of iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?

The InChIKey is JFFFXCMZQJTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N.C12H10N.Ir/c1-24(2)13-14-25(3,4)22-16-20(10-11-21(22)24)23-17-19(12-15-26-23)18-8-6-5-7-9-18;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h5-9,11-12,15-17H,13-14H2,1-4H3;2-7,9H,1H3;/q2*-1;.

What are the key properties of iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?

iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine has a molecular weight of 700.93 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;3-methyl-2-phenylpyridine;4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine is sourced from PubChem (CID 140789930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).