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

C57H39N3 — CID 138572766

IUPAC3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C57H39N3/c1-10-40(28-46(16-1)52-22-7-25-58-37-52)43-13-4-19-49(31-43)55-34-56(50-20-5-14-44(32-50)41-11-2-17-47(29-41)53-23-8-26-59-38-53)36-57(35-55)51-21-6-15-45(33-51)42-12-3-18-48(30-42)54-24-9-27-60-39-54/h1-39H
InChIKeyFHLSCVBRRCADCZ-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.87
Rot. Bonds9

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

3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 138572766) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID138572766
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C57H39N3/c1-10-40(28-46(16-1)52-22-7-25-58-37-52)43-13-4-19-49(31-43)55-34-56(50-20-5-14-44(32-50)41-11-2-17-47(29-41)53-23-8-26-59-38-53)36-57(35-55)51-21-6-15-45(33-51)42-12-3-18-48(30-42)54-24-9-27-60-39-54/h1-39H
InChIKeyFHLSCVBRRCADCZ-UHFFFAOYSA-N
XLogP14.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 138572766) is 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is FHLSCVBRRCADCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-10-40(28-46(16-1)52-22-7-25-58-37-52)43-13-4-19-49(31-43)55-34-56(50-20-5-14-44(32-50)41-11-2-17-47(29-41)53-23-8-26-59-38-53)36-57(35-55)51-21-6-15-45(33-51)42-12-3-18-48(30-42)54-24-9-27-60-39-54/h1-39H.
What are the key properties of 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 765.96 g/mol, XLogP of 14.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 138572766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).