3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine

C56H38N4 — CID 51358299

IUPAC3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3cc(-c4cccc(-c5ccncc5)c4)cc(-c4cc(-c5cccc(-c6ccncc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1
InChIInChI=1S/C56H38N4/c1-7-41(39-17-23-57-24-18-39)27-45(11-1)51-31-53(47-13-3-9-43(29-47)49-15-5-21-59-37-49)35-55(33-51)56-34-52(46-12-2-8-42(28-46)40-19-25-58-26-20-40)32-54(36-56)48-14-4-10-44(30-48)50-16-6-22-60-38-50/h1-38H
InChIKeySQUQZNGNCJQYAE-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.27
Rot. Bonds9

About 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine

3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 51358299) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
PubChem CID51358299
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3cc(-c4cccc(-c5ccncc5)c4)cc(-c4cc(-c5cccc(-c6ccncc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1
InChIInChI=1S/C56H38N4/c1-7-41(39-17-23-57-24-18-39)27-45(11-1)51-31-53(47-13-3-9-43(29-47)49-15-5-21-59-37-49)35-55(33-51)56-34-52(46-12-2-8-42(28-46)40-19-25-58-26-20-40)32-54(36-56)48-14-4-10-44(30-48)50-16-6-22-60-38-50/h1-38H
InChIKeySQUQZNGNCJQYAE-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-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine (CID 51358299) is 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine is c1cncc(-c2cccc(-c3cc(-c4cccc(-c5ccncc5)c4)cc(-c4cc(-c5cccc(-c6ccncc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is SQUQZNGNCJQYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-7-41(39-17-23-57-24-18-39)27-45(11-1)51-31-53(47-13-3-9-43(29-47)49-15-5-21-59-37-49)35-55(33-51)56-34-52(46-12-2-8-42(28-46)40-19-25-58-26-20-40)32-54(36-56)48-14-4-10-44(30-48)50-16-6-22-60-38-50/h1-38H.
What are the key properties of 3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine?
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine 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-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 51358299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).