bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)

C50H74Co2N4O14P2 — CID 139165760

About bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)

bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine) (PubChem CID 139165760) has the molecular formula C50H74Co2N4O14P2 and a molecular weight of 1134.97 g/mol. Its IUPAC name is bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine).

Molecular Properties

• Compound Name: bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)
• PubChem CID: 139165760
• Molecular Formula: C50H74Co2N4O14P2
• Molecular Weight: 1134.97 g/mol
• Exact Mass: 1134.33
• IUPAC Name: bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)
• SMILES: CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C12H19O4P.2C10H8N2.6CH4O.2Co/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2;;/h2*5-9H,1-4H3,(H2,13,14,15);2*1-8H;6*2H,1H3;;/q;;;;;;;;;;2*+2/p-4
• InChIKey: PFEUPUZZCAEDMX-UHFFFAOYSA-J
• XLogP: 6.22
• TPSA: 317.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1134.97
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)?

The IUPAC name of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine) (CID 139165760) is bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine).

What is the SMILES notation for bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)?

The canonical SMILES for bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine) is CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)?

The InChIKey is PFEUPUZZCAEDMX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H19O4P.2C10H8N2.6CH4O.2Co/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2;;/h2*5-9H,1-4H3,(H2,13,14,15);2*1-8H;6*2H,1H3;;/q;;;;;;;;;;2*+2/p-4.

What are the key properties of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)?

bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine) has a molecular weight of 1134.97 g/mol, XLogP of 6.22, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).