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

C57H41Eu2F6N2O4- — CID 159325588

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

carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone) (PubChem CID 159325588) has the molecular formula C57H41Eu2F6N2O4- and a molecular weight of 1235.88 g/mol. Its IUPAC name is carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone).

Molecular Properties

• Compound Name: carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone)
• PubChem CID: 159325588
• Molecular Formula: C57H41Eu2F6N2O4-
• Molecular Weight: 1235.88 g/mol
• Exact Mass: 1237.14
• IUPAC Name: carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone)
• SMILES: O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.[CH3-].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C24H16N2.2C16H11F3O2.CH3.2Eu/c1-3-7-17(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*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;;;/h1-16H;2*1-4,7-8,20H,5-6H2;1H3;;/q;;;-1
• InChIKey: CANZLHDDAFRFNW-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 100.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1235.88
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone) (CID 159325588) is carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone).

What is the SMILES notation for carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone)?

The canonical SMILES for carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone) is O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.[CH3-].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone)?

The InChIKey is CANZLHDDAFRFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.2C16H11F3O2.CH3.2Eu/c1-3-7-17(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*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;;;/h1-16H;2*1-4,7-8,20H,5-6H2;1H3;;/q;;;-1;;.

What are the key properties of carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone)?

carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone) has a molecular weight of 1235.88 g/mol, XLogP of 14.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone) is sourced from PubChem (CID 159325588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).