4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine

C34H34N4 — CID 58825419

IUPAC4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
SMILESc1cc(CCc2cc(CCc3ccncc3)c(CCc3ccncc3)cc2CCc2ccncc2)ccn1
InChIInChI=1S/C34H34N4/c1(27-9-17-35-18-10-27)5-31-25-33(7-3-29-13-21-37-22-14-29)34(8-4-30-15-23-38-24-16-30)26-32(31)6-2-28-11-19-36-20-12-28/h9-26H,1-8H2
InChIKeyHHHAJGMATWHWEH-UHFFFAOYSA-N
MW498.67 g/mol
LogP6.41
Rot. Bonds12

About 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine

4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine (PubChem CID 58825419) has the molecular formula C34H34N4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
PubChem CID58825419
Molecular FormulaC34H34N4
Molecular Weight498.67 g/mol
Exact Mass498.28
IUPAC Name4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
SMILESc1cc(CCc2cc(CCc3ccncc3)c(CCc3ccncc3)cc2CCc2ccncc2)ccn1
InChIInChI=1S/C34H34N4/c1(27-9-17-35-18-10-27)5-31-25-33(7-3-29-13-21-37-22-14-29)34(8-4-30-15-23-38-24-16-30)26-32(31)6-2-28-11-19-36-20-12-28/h9-26H,1-8H2
InChIKeyHHHAJGMATWHWEH-UHFFFAOYSA-N
XLogP6.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
2-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 142811447
2-pyridin-4-ylethylarsane
CID 173253111
4,6-bis(2-pyridin-4-ylethyl)-1,3,5-triazin-2-amine
CID 174750839
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
2-(2-pyridin-4-ylethyl)-1H-indole
CID 10421101
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine?
The IUPAC name of 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine (CID 58825419) is 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine?
The canonical SMILES for 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine is c1cc(CCc2cc(CCc3ccncc3)c(CCc3ccncc3)cc2CCc2ccncc2)ccn1.
What is the InChIKey of 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine?
The InChIKey is HHHAJGMATWHWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4/c1(27-9-17-35-18-10-27)5-31-25-33(7-3-29-13-21-37-22-14-29)34(8-4-30-15-23-38-24-16-30)26-32(31)6-2-28-11-19-36-20-12-28/h9-26H,1-8H2.
What are the key properties of 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine?
4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine has a molecular weight of 498.67 g/mol, XLogP of 6.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 58825419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).