2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine

C54H36N6 — CID 102128660

IUPAC2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccn7)c6)n5)cc(-c5cccc(-c6cccc(-c7ccccn7)c6)n5)c4)n3)c2)nc1
InChIInChI=1S/C54H36N6/c1-4-28-55-46(19-1)37-13-7-16-40(31-37)49-22-10-25-52(58-49)43-34-44(53-26-11-23-50(59-53)41-17-8-14-38(32-41)47-20-2-5-29-56-47)36-45(35-43)54-27-12-24-51(60-54)42-18-9-15-39(33-42)48-21-3-6-30-57-48/h1-36H
InChIKeyFCWZEJJMVUHROH-UHFFFAOYSA-N
MW768.92 g/mol
LogP13.06
Rot. Bonds9

About 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine

2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine (PubChem CID 102128660) has the molecular formula C54H36N6 and a molecular weight of 768.92 g/mol. Its IUPAC name is 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
PubChem CID102128660
Molecular FormulaC54H36N6
Molecular Weight768.92 g/mol
Exact Mass768.30
IUPAC Name2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccn7)c6)n5)cc(-c5cccc(-c6cccc(-c7ccccn7)c6)n5)c4)n3)c2)nc1
InChIInChI=1S/C54H36N6/c1-4-28-55-46(19-1)37-13-7-16-40(31-37)49-22-10-25-52(58-49)43-34-44(53-26-11-23-50(59-53)41-17-8-14-38(32-41)47-20-2-5-29-56-47)36-45(35-43)54-27-12-24-51(60-54)42-18-9-15-39(33-42)48-21-3-6-30-57-48/h1-36H
InChIKeyFCWZEJJMVUHROH-UHFFFAOYSA-N
XLogP13.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
The IUPAC name of 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine (CID 102128660) is 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine.
What is the SMILES notation for 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
The canonical SMILES for 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccn7)c6)n5)cc(-c5cccc(-c6cccc(-c7ccccn7)c6)n5)c4)n3)c2)nc1.
What is the InChIKey of 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
The InChIKey is FCWZEJJMVUHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N6/c1-4-28-55-46(19-1)37-13-7-16-40(31-37)49-22-10-25-52(58-49)43-34-44(53-26-11-23-50(59-53)41-17-8-14-38(32-41)47-20-2-5-29-56-47)36-45(35-43)54-27-12-24-51(60-54)42-18-9-15-39(33-42)48-21-3-6-30-57-48/h1-36H.
What are the key properties of 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine has a molecular weight of 768.92 g/mol, XLogP of 13.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine is sourced from PubChem (CID 102128660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).