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

C53H35FN2O2 — CID 166046595

IUPAC5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C53H35FN2O2/c54-44-26-23-39(24-27-44)52-32-49(38-21-19-37(20-22-38)35-11-3-1-4-12-35)50(34-56-52)48-18-10-9-17-47(48)43-30-41(36-13-5-2-6-14-36)29-42(31-43)46-16-8-7-15-45(46)40-25-28-51(53(57)58)55-33-40/h1-34H,(H,57,58)
InChIKeyFLYDURNJCVQMSI-UHFFFAOYSA-N
MW750.87 g/mol
LogP13.65
Rot. Bonds9

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

5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 166046595) has the molecular formula C53H35FN2O2 and a molecular weight of 750.87 g/mol. Its IUPAC name is 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID166046595
Molecular FormulaC53H35FN2O2
Molecular Weight750.87 g/mol
Exact Mass750.27
IUPAC Name5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C53H35FN2O2/c54-44-26-23-39(24-27-44)52-32-49(38-21-19-37(20-22-38)35-11-3-1-4-12-35)50(34-56-52)48-18-10-9-17-47(48)43-30-41(36-13-5-2-6-14-36)29-42(31-43)46-16-8-7-15-45(46)40-25-28-51(53(57)58)55-33-40/h1-34H,(H,57,58)
InChIKeyFLYDURNJCVQMSI-UHFFFAOYSA-N
XLogP13.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.87
LogP ≤ 513.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[7,7,10,10-Tetramethyl-1-(pyridin-3-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl]benzoic acid
CID 9826902
4-[7,7,10,10-Tetramethyl-1-(pyridin-2-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl]benzoic acid
CID 10390876
4-[7,7,10,10-Tetramethyl-1-(pyridin-4-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl]benzoic acid
CID 10097116
4-[5,5,7,7,10,10-hexamethyl-1-(pyridin-3-ylmethyl)-8,9-dihydro-4H-naphtho[2,3-g]indol-3-yl]benzoic acid
CID 10459281
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(isoquinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288263
3-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166841
4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzoic acid
CID 136166845
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
2-Pyridinecarboxylic acid, 5-(phenylmethyl)-
CID 3042842
5-phenylpyridine-2-carboxylic Acid
CID 2762870

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid (CID 166046595) is 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3-c3cnc(-c4ccc(F)cc4)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.
What is the InChIKey of 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is FLYDURNJCVQMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35FN2O2/c54-44-26-23-39(24-27-44)52-32-49(38-21-19-37(20-22-38)35-11-3-1-4-12-35)50(34-56-52)48-18-10-9-17-47(48)43-30-41(36-13-5-2-6-14-36)29-42(31-43)46-16-8-7-15-45(46)40-25-28-51(53(57)58)55-33-40/h1-34H,(H,57,58).
What are the key properties of 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid?
5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 750.87 g/mol, XLogP of 13.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-[6-(4-fluorophenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-phenylphenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 166046595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).