carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)

C121H100CeEu4F6N6O10S3-2 — CID 157454724

About carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)

carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone) (PubChem CID 157454724) has the molecular formula C121H100CeEu4F6N6O10S3-2 and a molecular weight of 2756.32 g/mol. Its IUPAC name is carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone).

Molecular Properties

• Compound Name: carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
• PubChem CID: 157454724
• Molecular Formula: C121H100CeEu4F6N6O10S3-2
• Molecular Weight: 2756.32 g/mol
• Exact Mass: 2758.25
• IUPAC Name: carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
• SMILES: Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.[CH3-].[CH3-].[Ce].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/2C24H16N2.3C13H12O2S.C12H8N2.2C10H9F3O2.2CH3.Ce.4Eu/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;;;;;;;/h2*1-16H;3*3-7,14H,1-2H3;1-8H;2*3-4,14H,1-2H3;2*1H3;;;;;/q;;;;;;;;2*-1
• InChIKey: OOUBBIQMUGQBON-UHFFFAOYSA-N
• XLogP: 31.33
• TPSA: 263.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2756.32
LogP ≤ 5	31.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)?

The IUPAC name of carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone) (CID 157454724) is carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone).

What is the SMILES notation for carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)?

The canonical SMILES for carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone) is Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.[CH3-].[CH3-].[Ce].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)?

The InChIKey is OOUBBIQMUGQBON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.3C13H12O2S.C12H8N2.2C10H9F3O2.2CH3.Ce.4Eu/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;;;;;;;/h2*1-16H;3*3-7,14H,1-2H3;1-8H;2*3-4,14H,1-2H3;2*1H3;;;;;/q;;;;;;;;2*-1;;;;;.

What are the key properties of carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)?

carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone) has a molecular weight of 2756.32 g/mol, XLogP of 31.33, 12 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone) is sourced from PubChem (CID 157454724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).