2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine

C35H27N3O3 — CID 102417810

IUPAC2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine
SMILESCC(c1ccc(Oc2ccccn2)cc1)(c1ccc(Oc2ccccn2)cc1)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C35H27N3O3/c1-35(26-11-17-29(18-12-26)39-32-8-2-5-23-36-32,27-13-19-30(20-14-27)40-33-9-3-6-24-37-33)28-15-21-31(22-16-28)41-34-10-4-7-25-38-34/h2-25H,1H3
InChIKeyOTCPKQYDDRHGRG-UHFFFAOYSA-N
MW537.62 g/mol
LogP8.60
Rot. Bonds9

About 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine

2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine (PubChem CID 102417810) has the molecular formula C35H27N3O3 and a molecular weight of 537.62 g/mol. Its IUPAC name is 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine.

Molecular Properties

Compound Name2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine
PubChem CID102417810
Molecular FormulaC35H27N3O3
Molecular Weight537.62 g/mol
Exact Mass537.21
IUPAC Name2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine
SMILESCC(c1ccc(Oc2ccccn2)cc1)(c1ccc(Oc2ccccn2)cc1)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C35H27N3O3/c1-35(26-11-17-29(18-12-26)39-32-8-2-5-23-36-32,27-13-19-30(20-14-27)40-33-9-3-6-24-37-33)28-15-21-31(22-16-28)41-34-10-4-7-25-38-34/h2-25H,1H3
InChIKeyOTCPKQYDDRHGRG-UHFFFAOYSA-N
XLogP8.60
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-(1-Methyl-4-piperidinylidene)-5H-(1)benzopyrano(2,3-b)pyridine
CID 38298
4-Methoxy-1-[2-(6-(2-pyridyl)(2-pyridyl))(4-pyridyl)]benzene
CID 4105676
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
3-(4-Butoxy-phenyl)-pyridine
CID 11817019
7-((1-Isopropylpiperidin-4-yl)methoxy)-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15981911
7-((1-Isopropylpiperidin-4-yl)methoxy)-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982036
2-Methyl-4-phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983453
4-(4-Methoxyphenyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983458
4-(4-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983459
4-(4-Methoxyphenyl)-2-methyl-7-(3-morpholinopropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983576
4-(3-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983578
N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983840

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine?
The IUPAC name of 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine (CID 102417810) is 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine.
What is the SMILES notation for 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine?
The canonical SMILES for 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine is CC(c1ccc(Oc2ccccn2)cc1)(c1ccc(Oc2ccccn2)cc1)c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine?
The InChIKey is OTCPKQYDDRHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O3/c1-35(26-11-17-29(18-12-26)39-32-8-2-5-23-36-32,27-13-19-30(20-14-27)40-33-9-3-6-24-37-33)28-15-21-31(22-16-28)41-34-10-4-7-25-38-34/h2-25H,1H3.
What are the key properties of 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine?
2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine has a molecular weight of 537.62 g/mol, XLogP of 8.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1-bis(4-pyridin-2-yloxyphenyl)ethyl]phenoxy]pyridine is sourced from PubChem (CID 102417810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).