carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)

C134H97Eu5F15N6O10-2 — CID 161234990

IUPACcarbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)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/2C24H16N2.3C16H11F3O2.2C12H9F3O2.C12H8N2.2CH3.5Eu/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;3*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;2*13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;/h2*1-16H;3*1-4,7-8,20H,5-6H2;2*1-4,16H,5-6H2;1-8H;2*1H3;;;;;/q;;;;;;;;2*-1;;;;;
InChIKeyUBFRSFJAOYXOIR-UHFFFAOYSA-N
MW2996.07 g/mol
LogP34.54
Rot. Bonds9

About carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)

carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone) (PubChem CID 161234990) has the molecular formula C134H97Eu5F15N6O10-2 and a molecular weight of 2996.07 g/mol. Its IUPAC name is carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone).

Molecular Properties

Compound Namecarbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)
PubChem CID161234990
Molecular FormulaC134H97Eu5F15N6O10-2
Molecular Weight2996.07 g/mol
Exact Mass2999.31
IUPAC Namecarbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)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/2C24H16N2.3C16H11F3O2.2C12H9F3O2.C12H8N2.2CH3.5Eu/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;3*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;2*13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;/h2*1-16H;3*1-4,7-8,20H,5-6H2;2*1-4,16H,5-6H2;1-8H;2*1H3;;;;;/q;;;;;;;;2*-1;;;;;
InChIKeyUBFRSFJAOYXOIR-UHFFFAOYSA-N
XLogP34.54
TPSA263.84 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002996.07
LogP ≤ 534.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

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;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)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;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)?
The IUPAC name of carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone) (CID 161234990) is carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone).
What is the SMILES notation for carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)?
The canonical SMILES for carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone) is O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)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;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)?
The InChIKey is UBFRSFJAOYXOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.3C16H11F3O2.2C12H9F3O2.C12H8N2.2CH3.5Eu/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;3*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;2*13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;/h2*1-16H;3*1-4,7-8,20H,5-6H2;2*1-4,16H,5-6H2;1-8H;2*1H3;;;;;/q;;;;;;;;2*-1;;;;;.
What are the key properties of carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)?
carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone) has a molecular weight of 2996.07 g/mol, XLogP of 34.54, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone) is sourced from PubChem (CID 161234990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).