3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine

C56H38N4 — CID 155116854

IUPAC3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cncc(-c6cccnc6)c5)c4)c3)cc(-c3cccc(-c4cccc(-c5cncc(-c6cccnc6)c5)c4)c3)c2)cc1
InChIInChI=1S/C56H38N4/c1-2-10-39(11-3-1)50-28-51(44-16-4-12-40(24-44)42-14-6-18-46(26-42)53-31-55(37-59-35-53)48-20-8-22-57-33-48)30-52(29-50)45-17-5-13-41(25-45)43-15-7-19-47(27-43)54-32-56(38-60-36-54)49-21-9-23-58-34-49/h1-38H
InChIKeyACEGCTOWCRPTML-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.27
Rot. Bonds9

About 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine

3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine (PubChem CID 155116854) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
PubChem CID155116854
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cncc(-c6cccnc6)c5)c4)c3)cc(-c3cccc(-c4cccc(-c5cncc(-c6cccnc6)c5)c4)c3)c2)cc1
InChIInChI=1S/C56H38N4/c1-2-10-39(11-3-1)50-28-51(44-16-4-12-40(24-44)42-14-6-18-46(26-42)53-31-55(37-59-35-53)48-20-8-22-57-33-48)30-52(29-50)45-17-5-13-41(25-45)43-15-7-19-47(27-43)54-32-56(38-60-36-54)49-21-9-23-58-34-49/h1-38H
InChIKeyACEGCTOWCRPTML-UHFFFAOYSA-N
XLogP14.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
The IUPAC name of 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine (CID 155116854) is 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cncc(-c6cccnc6)c5)c4)c3)cc(-c3cccc(-c4cccc(-c5cncc(-c6cccnc6)c5)c4)c3)c2)cc1.
What is the InChIKey of 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
The InChIKey is ACEGCTOWCRPTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-2-10-39(11-3-1)50-28-51(44-16-4-12-40(24-44)42-14-6-18-46(26-42)53-31-55(37-59-35-53)48-20-8-22-57-33-48)30-52(29-50)45-17-5-13-41(25-45)43-15-7-19-47(27-43)54-32-56(38-60-36-54)49-21-9-23-58-34-49/h1-38H.
What are the key properties of 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine has a molecular weight of 766.95 g/mol, XLogP of 14.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 155116854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).