4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine

C24H16N4 — CID 57203843

IUPAC4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine
SMILESc1cc(C2=C(c3ccncc3)C(c3ccncc3)=C2c2ccncc2)ccn1
InChIInChI=1S/C24H16N4/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)23(21)19-5-13-27-14-6-19/h1-16H
InChIKeyPDXIHTODGVZTQT-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.80
Rot. Bonds4

About 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine

4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine (PubChem CID 57203843) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine
PubChem CID57203843
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine
SMILESc1cc(C2=C(c3ccncc3)C(c3ccncc3)=C2c2ccncc2)ccn1
InChIInChI=1S/C24H16N4/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)23(21)19-5-13-27-14-6-19/h1-16H
InChIKeyPDXIHTODGVZTQT-UHFFFAOYSA-N
XLogP4.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
4,4'-Bipyridine
CID 11107
1,3-Bis(4-pyridyl)propane
CID 87019
4-Benzhydrylpyridine
CID 77252
2,4'-Bipyridine
CID 68488
Anabasamine
CID 161313
Benzylviologen
CID 14196
1,2-Bis(4-pyridyl)ethane
CID 78630
2-(3-Pyridinyl)-1-azabicyclo(2.2.2)octane
CID 10176454
3,3'-Bipyridine
CID 68487
Anabasamine hydrochloride
CID 438950
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine?
The IUPAC name of 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine (CID 57203843) is 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine?
The canonical SMILES for 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine is c1cc(C2=C(c3ccncc3)C(c3ccncc3)=C2c2ccncc2)ccn1.
What is the InChIKey of 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine?
The InChIKey is PDXIHTODGVZTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)23(21)19-5-13-27-14-6-19/h1-16H.
What are the key properties of 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine?
4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine has a molecular weight of 360.42 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-tripyridin-4-ylcyclobuta-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 57203843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).