[6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)

C54H51N6ORh+ — CID 155640902

About [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)

[6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+) (PubChem CID 155640902) has the molecular formula C54H51N6ORh+ and a molecular weight of 902.95 g/mol. Its IUPAC name is [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+).

Molecular Properties

• Compound Name: [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)
• PubChem CID: 155640902
• Molecular Formula: C54H51N6ORh+
• Molecular Weight: 902.95 g/mol
• Exact Mass: 902.32
• IUPAC Name: [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)
• SMILES: CCN(CC)c1ccc2c(-c3ccnc(-c4cc(C)ccn4)c3)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Rh+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C32H35N4O.2C11H8N.Rh/c1-6-35(7-2)24-10-12-26-30(20-24)37-31-21-25(36(8-3)9-4)11-13-27(31)32(26)23-15-17-34-29(19-23)28-18-22(5)14-16-33-28;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h10-21H,6-9H2,1-5H3;2*1-6,8-9H;/q+1;2*-1;+2
• InChIKey: KLOIQKBTDKMGBU-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 70.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.95
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)?

The IUPAC name of [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+) (CID 155640902) is [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+).

What is the SMILES notation for [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)?

The canonical SMILES for [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+) is CCN(CC)c1ccc2c(-c3ccnc(-c4cc(C)ccn4)c3)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Rh+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)?

The InChIKey is KLOIQKBTDKMGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N4O.2C11H8N.Rh/c1-6-35(7-2)24-10-12-26-30(20-24)37-31-21-25(36(8-3)9-4)11-13-27(31)32(26)23-15-17-34-29(19-23)28-18-22(5)14-16-33-28;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h10-21H,6-9H2,1-5H3;2*1-6,8-9H;/q+1;2*-1;+2.

What are the key properties of [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+)?

[6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+) has a molecular weight of 902.95 g/mol, XLogP of 11.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(diethylamino)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]xanthen-3-ylidene]-diethylazanium;bis(2-phenylpyridine);rhodium(2+) is sourced from PubChem (CID 155640902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).