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

C39H27N3 — CID 51358305

IUPAC3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H
InChIKeyCINYXYWQPZSTOT-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.87
Rot. Bonds6

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

3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 51358305) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID51358305
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H
InChIKeyCINYXYWQPZSTOT-UHFFFAOYSA-N
XLogP9.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 51358305) is 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is CINYXYWQPZSTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H.
What are the key properties of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 537.67 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 51358305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).