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

C109H82Eu5F9N9O10S2-2 — CID 160837853

IUPACcarbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C24H16N2.2C13H12O2S.C12H8N2.3C7H4F3NO2.2CH3.5Eu/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;2*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;3*8-7(9,10)6(13)4-3-11-2-1-5(4)12;;;;;;;/h2*1-16H;2*3-7,14H,1-2H3;1-8H;3*1-3H,(H,11,12);2*1H3;;;;;/q;;;;;;;;2*-1;;;;;
InChIKeyQYLXJDHPLSZRSF-UHFFFAOYSA-N
MW2672.84 g/mol
LogP27.12
Rot. Bonds11

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

carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) (PubChem CID 160837853) has the molecular formula C109H82Eu5F9N9O10S2-2 and a molecular weight of 2672.84 g/mol. Its IUPAC name is carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone).

Molecular Properties

Compound Namecarbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
PubChem CID160837853
Molecular FormulaC109H82Eu5F9N9O10S2-2
Molecular Weight2672.84 g/mol
Exact Mass2676.16
IUPAC Namecarbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C24H16N2.2C13H12O2S.C12H8N2.3C7H4F3NO2.2CH3.5Eu/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;2*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;3*8-7(9,10)6(13)4-3-11-2-1-5(4)12;;;;;;;/h2*1-16H;2*3-7,14H,1-2H3;1-8H;3*1-3H,(H,11,12);2*1H3;;;;;/q;;;;;;;;2*-1;;;;;
InChIKeyQYLXJDHPLSZRSF-UHFFFAOYSA-N
XLogP27.12
TPSA302.51 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002672.84
LogP ≤ 527.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The IUPAC name of carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) (CID 160837853) is carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone).
What is the SMILES notation for carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The canonical SMILES for carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) is Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The InChIKey is QYLXJDHPLSZRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.2C13H12O2S.C12H8N2.3C7H4F3NO2.2CH3.5Eu/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;2*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;3*8-7(9,10)6(13)4-3-11-2-1-5(4)12;;;;;;;/h2*1-16H;2*3-7,14H,1-2H3;1-8H;3*1-3H,(H,11,12);2*1H3;;;;;/q;;;;;;;;2*-1;;;;;.
What are the key properties of carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) has a molecular weight of 2672.84 g/mol, XLogP of 27.12, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) is sourced from PubChem (CID 160837853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).