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

C32H20N2 — CID 102471924

IUPAC4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
SMILESC(#Cc1cccc(C#Cc2ccc(-c3ccncc3)cc2)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C32H20N2/c1-2-27(6-4-25-8-12-29(13-9-25)31-16-20-33-21-17-31)24-28(3-1)7-5-26-10-14-30(15-11-26)32-18-22-34-23-19-32/h1-3,8-24H
InChIKeySKLQAOBZQIAGGI-UHFFFAOYSA-N
MW432.53 g/mol
LogP6.61
Rot. Bonds2

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

4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine (PubChem CID 102471924) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
PubChem CID102471924
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
SMILESC(#Cc1cccc(C#Cc2ccc(-c3ccncc3)cc2)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C32H20N2/c1-2-27(6-4-25-8-12-29(13-9-25)31-16-20-33-21-17-31)24-28(3-1)7-5-26-10-14-30(15-11-26)32-18-22-34-23-19-32/h1-3,8-24H
InChIKeySKLQAOBZQIAGGI-UHFFFAOYSA-N
XLogP6.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-[3-(2-pyridin-4-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 53343119
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
3-[2-[4-[3,5-bis[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]phenyl]phenyl]ethynyl]phenol
CID 118967630
4-pyridin-4-ylbenzonitrile
CID 4184629
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
azane;4-phenylpyridine
CID 175775455
4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine
CID 88536253
2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
CID 101246219
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
The IUPAC name of 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine (CID 102471924) is 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
The canonical SMILES for 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine is C(#Cc1cccc(C#Cc2ccc(-c3ccncc3)cc2)c1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
The InChIKey is SKLQAOBZQIAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-2-27(6-4-25-8-12-29(13-9-25)31-16-20-33-21-17-31)24-28(3-1)7-5-26-10-14-30(15-11-26)32-18-22-34-23-19-32/h1-3,8-24H.
What are the key properties of 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine has a molecular weight of 432.53 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-[2-(4-pyridin-4-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine is sourced from PubChem (CID 102471924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).