bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))

C78H70N4O18Yb2 — CID 139082164

About bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))

bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+)) (PubChem CID 139082164) has the molecular formula C78H70N4O18Yb2 and a molecular weight of 1697.51 g/mol. Its IUPAC name is bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+)).

Molecular Properties

• Compound Name: bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))
• PubChem CID: 139082164
• Molecular Formula: C78H70N4O18Yb2
• Molecular Weight: 1697.51 g/mol
• Exact Mass: 1698.35
• IUPAC Name: bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))
• SMILES: C[C@@H](Oc1ccccc1)C(=O)[O-].C[C@@H](Oc1ccccc1)C(=O)[O-].C[C@@H](Oc1ccccc1)C(=O)[O-].C[C@H](Oc1ccccc1)C(=O)[O-].C[C@H](Oc1ccccc1)C(=O)[O-].C[C@H](Oc1ccccc1)C(=O)[O-].[Yb+3].[Yb+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/2C12H8N2.6C9H10O3.2Yb/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-7(9(10)11)12-8-5-3-2-4-6-8;;/h2*1-8H;6*2-7H,1H3,(H,10,11);;/q;;;;;;;;2*+3/p-6/t;;6*7-;;/m..111000../s1
• InChIKey: IBYAESPXVPOKAX-SGBWNAILSA-H
• XLogP: 6.79
• TPSA: 347.72 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1697.51
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))?

The IUPAC name of bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+)) (CID 139082164) is bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+)).

What is the SMILES notation for bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))?

The canonical SMILES for bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+)) is C[C@@H](Oc1ccccc1)C(=O)[O-].C[C@@H](Oc1ccccc1)C(=O)[O-].C[C@@H](Oc1ccccc1)C(=O)[O-].C[C@H](Oc1ccccc1)C(=O)[O-].C[C@H](Oc1ccccc1)C(=O)[O-].C[C@H](Oc1ccccc1)C(=O)[O-].[Yb+3].[Yb+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))?

The InChIKey is IBYAESPXVPOKAX-SGBWNAILSA-H. The full InChI is InChI=1S/2C12H8N2.6C9H10O3.2Yb/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-7(9(10)11)12-8-5-3-2-4-6-8;;/h2*1-8H;6*2-7H,1H3,(H,10,11);;/q;;;;;;;;2*+3/p-6/t;;6*7-;;/m..111000../s1.

What are the key properties of bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+))?

bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+)) has a molecular weight of 1697.51 g/mol, XLogP of 6.79, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,10-phenanthroline);tris((2S)-2-phenoxypropanoate);tris((2R)-2-phenoxypropanoate);bis(ytterbium(3+)) is sourced from PubChem (CID 139082164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).