5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

C59H38FN3O4 — CID 164776292

IUPAC5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(C(=O)O)nc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C59H38FN3O4/c60-46-26-22-40(23-27-46)57-33-53(39-20-18-38(19-21-39)37-10-2-1-3-11-37)54(36-63-57)52-17-9-8-16-51(52)45-31-43(49-14-6-4-12-47(49)41-24-28-55(58(64)65)61-34-41)30-44(32-45)50-15-7-5-13-48(50)42-25-29-56(59(66)67)62-35-42/h1-36H,(H,64,65)(H,66,67)
InChIKeyLULJDJJLMZPQAJ-UHFFFAOYSA-N
MW871.97 g/mol
LogP14.41
Rot. Bonds11

About 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 164776292) has the molecular formula C59H38FN3O4 and a molecular weight of 871.97 g/mol. Its IUPAC name is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID164776292
Molecular FormulaC59H38FN3O4
Molecular Weight871.97 g/mol
Exact Mass871.28
IUPAC Name5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(C(=O)O)nc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C59H38FN3O4/c60-46-26-22-40(23-27-46)57-33-53(39-20-18-38(19-21-39)37-10-2-1-3-11-37)54(36-63-57)52-17-9-8-16-51(52)45-31-43(49-14-6-4-12-47(49)41-24-28-55(58(64)65)61-34-41)30-44(32-45)50-15-7-5-13-48(50)42-25-29-56(59(66)67)62-35-42/h1-36H,(H,64,65)(H,66,67)
InChIKeyLULJDJJLMZPQAJ-UHFFFAOYSA-N
XLogP14.41
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.97
LogP ≤ 514.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166841
4-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166852
4-[4-[(1S,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166950
4-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136167037
4-([2,2':6',2''-Terpyridin]-4'-yl)benzoic Acid
CID 15903886
6-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(isoquinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 122178107
4-[4-[(1R,3Z)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166972
5-(4-Fluorophenyl)pyridine-2-carboxylic acid
CID 23120510
[3,3'-Bipyridine]-6-carboxylic acid
CID 46316070
5-[4-(Trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983951
Picotrin
CID 47264
5-(Naphthalen-1-yl)picolinic acid
CID 53211461

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (CID 164776292) is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(C(=O)O)nc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.
What is the InChIKey of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is LULJDJJLMZPQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38FN3O4/c60-46-26-22-40(23-27-46)57-33-53(39-20-18-38(19-21-39)37-10-2-1-3-11-37)54(36-63-57)52-17-9-8-16-51(52)45-31-43(49-14-6-4-12-47(49)41-24-28-55(58(64)65)61-34-41)30-44(32-45)50-15-7-5-13-48(50)42-25-29-56(59(66)67)62-35-42/h1-36H,(H,64,65)(H,66,67).
What are the key properties of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 871.97 g/mol, XLogP of 14.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 164776292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).