2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine

C34H31ClN2O2 — CID 139429802

IUPAC2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine
SMILESCC(C)(Oc1cc(Cl)cc(OC(C)(C)c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C34H31ClN2O2/c1-33(2,26-15-11-24(12-16-26)31-9-5-7-19-36-31)38-29-21-28(35)22-30(23-29)39-34(3,4)27-17-13-25(14-18-27)32-10-6-8-20-37-32/h5-23H,1-4H3
InChIKeyMFSGRMXDQAETHH-UHFFFAOYSA-N
MW535.09 g/mol
LogP9.09
Rot. Bonds8

About 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine

2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine (PubChem CID 139429802) has the molecular formula C34H31ClN2O2 and a molecular weight of 535.09 g/mol. Its IUPAC name is 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine
PubChem CID139429802
Molecular FormulaC34H31ClN2O2
Molecular Weight535.09 g/mol
Exact Mass534.21
IUPAC Name2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine
SMILESCC(C)(Oc1cc(Cl)cc(OC(C)(C)c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C34H31ClN2O2/c1-33(2,26-15-11-24(12-16-26)31-9-5-7-19-36-31)38-29-21-28(35)22-30(23-29)39-34(3,4)27-17-13-25(14-18-27)32-10-6-8-20-37-32/h5-23H,1-4H3
InChIKeyMFSGRMXDQAETHH-UHFFFAOYSA-N
XLogP9.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.09
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine with MolForge

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Related Compounds

2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]phenyl]pyridine
CID 165149100
2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 134313361
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
CID 170286441
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenoxy)propan-2-yl]phenyl]phenyl]phenyl]-7-phenylphenanthro[9,10-c]pyridine
CID 165148441
2-methyl-2-(4-pyridin-2-ylphenoxy)propanoic acid
CID 58589418
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine
CID 58658166
2-chloro-4-phenyl-3-pyridin-2-ylpyridine
CID 174953397
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine (CID 139429802) is 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine is CC(C)(Oc1cc(Cl)cc(OC(C)(C)c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine?
The InChIKey is MFSGRMXDQAETHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31ClN2O2/c1-33(2,26-15-11-24(12-16-26)31-9-5-7-19-36-31)38-29-21-28(35)22-30(23-29)39-34(3,4)27-17-13-25(14-18-27)32-10-6-8-20-37-32/h5-23H,1-4H3.
What are the key properties of 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine?
2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine has a molecular weight of 535.09 g/mol, XLogP of 9.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine is sourced from PubChem (CID 139429802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).