dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)

C48H39DyF9N6O9 — CID 139213344

IUPACdysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
SMILESCCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C16H13F3N2O3.Dy/c3*1-2-20-14(22)12-7-10(8-13(21-12)15(23)24)9-3-5-11(6-4-9)16(17,18)19;/h3*3-8H,2H2,1H3,(H,20,22)(H,23,24);
InChIKeyLFNUHKJBDZFVHY-UHFFFAOYSA-N
MW1177.35 g/mol
LogP9.65
Rot. Bonds12

About dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)

dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid) (PubChem CID 139213344) has the molecular formula C48H39DyF9N6O9 and a molecular weight of 1177.35 g/mol. Its IUPAC name is dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid).

Molecular Properties

Compound Namedysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
PubChem CID139213344
Molecular FormulaC48H39DyF9N6O9
Molecular Weight1177.35 g/mol
Exact Mass1178.19
IUPAC Namedysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
SMILESCCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C16H13F3N2O3.Dy/c3*1-2-20-14(22)12-7-10(8-13(21-12)15(23)24)9-3-5-11(6-4-9)16(17,18)19;/h3*3-8H,2H2,1H3,(H,20,22)(H,23,24);
InChIKeyLFNUHKJBDZFVHY-UHFFFAOYSA-N
XLogP9.65
TPSA237.87 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.35
LogP ≤ 59.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

6-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 176734391
6-(Ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 139213284
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);samarium
CID 139213299
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);europium
CID 139213314
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);terbium
CID 139213329
4-{3-Fluoro-3-[2-methyl-6-(3-trifluoromethyl-benzylcarbamoyl)-pyridin-4-yl]-propyl}-benzoic acid
CID 11496553
4-[3,3-Difluoro-3-[2-methyl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-4-yl]propyl]benzoic acid
CID 11591282
(2S)-3-(4-phenylphenyl)-2-[[6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid
CID 58718082
4-[3-[2-[(3,4-Difluorophenyl)methylcarbamoyl]-6-methylpyridin-4-yl]-3,3-difluoropropyl]benzoic acid
CID 69242798
4-[4,4-Difluoro-4-[2-methyl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-4-yl]butyl]benzoic acid
CID 69243026
5-[3,3-Difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methylpyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69243400
4-[3,3-Difluoro-3-[2-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]propyl]benzoic acid
CID 69243633

Frequently Asked Questions

What is the IUPAC name of dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)?
The IUPAC name of dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid) (CID 139213344) is dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid).
What is the SMILES notation for dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)?
The canonical SMILES for dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid) is CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)O)n1.[Dy].
What is the InChIKey of dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)?
The InChIKey is LFNUHKJBDZFVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H13F3N2O3.Dy/c3*1-2-20-14(22)12-7-10(8-13(21-12)15(23)24)9-3-5-11(6-4-9)16(17,18)19;/h3*3-8H,2H2,1H3,(H,20,22)(H,23,24);.
What are the key properties of dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)?
dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid) has a molecular weight of 1177.35 g/mol, XLogP of 9.65, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid) is sourced from PubChem (CID 139213344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).