carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one

C93H77EuF3Ir3N9O5STb- — CID 157099903

About carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one

carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one (PubChem CID 157099903) has the molecular formula C93H77EuF3Ir3N9O5STb- and a molecular weight of 2377.30 g/mol. Its IUPAC name is carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one.

Molecular Properties

• Compound Name: carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
• PubChem CID: 157099903
• Molecular Formula: C93H77EuF3Ir3N9O5STb-
• Molecular Weight: 2377.30 g/mol
• Exact Mass: 2379.31
• IUPAC Name: carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
• SMILES: C.CC(=O)C=C(C)O.O=C(C=C(O)c1cccs1)C(F)(F)F.[CH3+].[CH3+].[Eu].[Ir].[Ir].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1ccc2c(oc3ccccc32)c1N1C=CNC1.[c-]1ccccc1N1CN(c2ccccc2)c2ccccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C19H15N2.C19H12N.C15H11N2O.2C12H8N2.C8H5F3O2S.C5H8O2.CH4.2CH3.Eu.3Ir.Tb/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-7-14-11(4-1)12-5-3-6-13(15(12)18-14)17-9-8-16-10-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;1-4(6)3-5(2)7;;;;;;;;/h1-11,13-14H,15H2;1-9,11-13H;1-5,7-9,16H,10H2;2*1-8H;1-4,12H;3,6H,1-2H3;1H4;2*1H3;;;;;/q3*-1;;;;;;2*+1
• InChIKey: VSYPBNWRZHSDGQ-UHFFFAOYSA-N
• XLogP: 23.72
• TPSA: 173.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2377.30
LogP ≤ 5	23.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?

The IUPAC name of carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one (CID 157099903) is carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one.

What is the SMILES notation for carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?

The canonical SMILES for carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one is C.CC(=O)C=C(C)O.O=C(C=C(O)c1cccs1)C(F)(F)F.[CH3+].[CH3+].[Eu].[Ir].[Ir].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1ccc2c(oc3ccccc32)c1N1C=CNC1.[c-]1ccccc1N1CN(c2ccccc2)c2ccccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?

The InChIKey is VSYPBNWRZHSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2.C19H12N.C15H11N2O.2C12H8N2.C8H5F3O2S.C5H8O2.CH4.2CH3.Eu.3Ir.Tb/c1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-7-14-11(4-1)12-5-3-6-13(15(12)18-14)17-9-8-16-10-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;1-4(6)3-5(2)7;;;;;;;;/h1-11,13-14H,15H2;1-9,11-13H;1-5,7-9,16H,10H2;2*1-8H;1-4,12H;3,6H,1-2H3;1H4;2*1H3;;;;;/q3*-1;;;;;;2*+1;;;;;.

What are the key properties of carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?

carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one has a molecular weight of 2377.30 g/mol, XLogP of 23.72, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one is sourced from PubChem (CID 157099903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).