5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

C52H35N3O2 — CID 122487843

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4ccccc4)nc3)cc(-c3ccccc3-c3ccc(-c4ccccc4)nc3)c2)cn1
InChIInChI=1S/C52H35N3O2/c56-52(57)51-28-25-39(34-55-51)45-19-9-12-22-48(45)42-30-40(46-20-10-7-17-43(46)37-23-26-49(53-32-37)35-13-3-1-4-14-35)29-41(31-42)47-21-11-8-18-44(47)38-24-27-50(54-33-38)36-15-5-2-6-16-36/h1-34H,(H,56,57)
InChIKeyQJXUBUUYPVJZHP-UHFFFAOYSA-N
MW733.87 g/mol
LogP12.91
Rot. Bonds9

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 122487843) has the molecular formula C52H35N3O2 and a molecular weight of 733.87 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID122487843
Molecular FormulaC52H35N3O2
Molecular Weight733.87 g/mol
Exact Mass733.27
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4ccccc4)nc3)cc(-c3ccccc3-c3ccc(-c4ccccc4)nc3)c2)cn1
InChIInChI=1S/C52H35N3O2/c56-52(57)51-28-25-39(34-55-51)45-19-9-12-22-48(45)42-30-40(46-20-10-7-17-43(46)37-23-26-49(53-32-37)35-13-3-1-4-14-35)29-41(31-42)47-21-11-8-18-44(47)38-24-27-50(54-33-38)36-15-5-2-6-16-36/h1-34H,(H,56,57)
InChIKeyQJXUBUUYPVJZHP-UHFFFAOYSA-N
XLogP12.91
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.87
LogP ≤ 512.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (CID 122487843) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4ccccc4)nc3)cc(-c3ccccc3-c3ccc(-c4ccccc4)nc3)c2)cn1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is QJXUBUUYPVJZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O2/c56-52(57)51-28-25-39(34-55-51)45-19-9-12-22-48(45)42-30-40(46-20-10-7-17-43(46)37-23-26-49(53-32-37)35-13-3-1-4-14-35)29-41(31-42)47-21-11-8-18-44(47)38-24-27-50(54-33-38)36-15-5-2-6-16-36/h1-34H,(H,56,57).
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 733.87 g/mol, XLogP of 12.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122487843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).