2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

C44H36N2 — CID 153434537

IUPAC2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCCc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cccc(-c2ccccc2-c2ccc(-c3ccccn3)cc2CC)c1
InChIInChI=1S/C44H36N2/c1-3-31-28-35(43-20-9-11-26-45-43)22-24-39(31)41-18-7-5-16-37(41)33-14-13-15-34(30-33)38-17-6-8-19-42(38)40-25-23-36(29-32(40)4-2)44-21-10-12-27-46-44/h5-30H,3-4H2,1-2H3
InChIKeyOTRLFFSZABJBGP-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.60
Rot. Bonds8

About 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 153434537) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID153434537
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCCc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cccc(-c2ccccc2-c2ccc(-c3ccccn3)cc2CC)c1
InChIInChI=1S/C44H36N2/c1-3-31-28-35(43-20-9-11-26-45-43)22-24-39(31)41-18-7-5-16-37(41)33-14-13-15-34(30-33)38-17-6-8-19-42(38)40-25-23-36(29-32(40)4-2)44-21-10-12-27-46-44/h5-30H,3-4H2,1-2H3
InChIKeyOTRLFFSZABJBGP-UHFFFAOYSA-N
XLogP11.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 153434537) is 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is CCc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cccc(-c2ccccc2-c2ccc(-c3ccccn3)cc2CC)c1.
What is the InChIKey of 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is OTRLFFSZABJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-3-31-28-35(43-20-9-11-26-45-43)22-24-39(31)41-18-7-5-16-37(41)33-14-13-15-34(30-33)38-17-6-8-19-42(38)40-25-23-36(29-32(40)4-2)44-21-10-12-27-46-44/h5-30H,3-4H2,1-2H3.
What are the key properties of 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 592.79 g/mol, XLogP of 11.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 153434537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).