4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine

C23H19N3 — CID 100997111

IUPAC4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine
SMILESc1cc(Cc2cc(Cc3ccncc3)cc(-c3ccncc3)c2)ccn1
InChIInChI=1S/C23H19N3/c1-7-24-8-2-18(1)13-20-15-21(14-19-3-9-25-10-4-19)17-23(16-20)22-5-11-26-12-6-22/h1-12,15-17H,13-14H2
InChIKeyGGOIKYQQOANCHE-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.72
Rot. Bonds5

About 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine

4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine (PubChem CID 100997111) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine
PubChem CID100997111
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine
SMILESc1cc(Cc2cc(Cc3ccncc3)cc(-c3ccncc3)c2)ccn1
InChIInChI=1S/C23H19N3/c1-7-24-8-2-18(1)13-20-15-21(14-19-3-9-25-10-4-19)17-23(16-20)22-5-11-26-12-6-22/h1-12,15-17H,13-14H2
InChIKeyGGOIKYQQOANCHE-UHFFFAOYSA-N
XLogP4.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-(4-benzylphenyl)pyridine
CID 174553937
gold;4-pyridin-4-ylpyridine
CID 159917709
4-[(4-iodophenyl)methyl]pyridine
CID 14743030
1-[[3,5-bis[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyridin-4-ylpyridin-1-ium
CID 15758991
ethane;4-pyridin-4-ylpyridine
CID 142013036
(5-pyridin-4-yl-3-pyridinyl)methanamine
CID 71301604
2-[4-(pyridin-4-ylmethyl)phenyl]ethanol
CID 91121201
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide
CID 172691698
4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine
CID 175818404
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine?
The IUPAC name of 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine (CID 100997111) is 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine.
What is the SMILES notation for 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine?
The canonical SMILES for 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine is c1cc(Cc2cc(Cc3ccncc3)cc(-c3ccncc3)c2)ccn1.
What is the InChIKey of 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine?
The InChIKey is GGOIKYQQOANCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-7-24-8-2-18(1)13-20-15-21(14-19-3-9-25-10-4-19)17-23(16-20)22-5-11-26-12-6-22/h1-12,15-17H,13-14H2.
What are the key properties of 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine?
4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine has a molecular weight of 337.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine is sourced from PubChem (CID 100997111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).