8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline

C33H33N3O — CID 153428997

IUPAC8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
SMILESCC(C)(C)c1ccnc(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4ncccc4c3)c2)c1
InChIInChI=1S/C33H33N3O/c1-32(2,3)24-12-15-34-29(19-24)22-9-7-11-26(17-22)37-27-18-23-10-8-14-36-31(23)28(21-27)30-20-25(13-16-35-30)33(4,5)6/h7-21H,1-6H3
InChIKeyQYJKWWASEYOOJN-UHFFFAOYSA-N
MW487.65 g/mol
LogP8.75
Rot. Bonds4

About 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline

8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline (PubChem CID 153428997) has the molecular formula C33H33N3O and a molecular weight of 487.65 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline.

Molecular Properties

Compound Name8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
PubChem CID153428997
Molecular FormulaC33H33N3O
Molecular Weight487.65 g/mol
Exact Mass487.26
IUPAC Name8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
SMILESCC(C)(C)c1ccnc(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4ncccc4c3)c2)c1
InChIInChI=1S/C33H33N3O/c1-32(2,3)24-12-15-34-29(19-24)22-9-7-11-26(17-22)37-27-18-23-10-8-14-36-31(23)28(21-27)30-20-25(13-16-35-30)33(4,5)6/h7-21H,1-6H3
InChIKeyQYJKWWASEYOOJN-UHFFFAOYSA-N
XLogP8.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline with MolForge

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Related Compounds

3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine
CID 172528313
1-[3-tert-butyl-5-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]oxyphenyl]isoquinoline
CID 153429141
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline
CID 153428799
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
[2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane
CID 177122707
5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771849
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
CID 171751706
1-[3-(3-tert-butyl-5-isoquinolin-3-ylphenoxy)phenyl]isoquinoline
CID 153428960
4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
CID 162777491

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline?
The IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline (CID 153428997) is 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline.
What is the SMILES notation for 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline?
The canonical SMILES for 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline is CC(C)(C)c1ccnc(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4ncccc4c3)c2)c1.
What is the InChIKey of 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline?
The InChIKey is QYJKWWASEYOOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O/c1-32(2,3)24-12-15-34-29(19-24)22-9-7-11-26(17-22)37-27-18-23-10-8-14-36-31(23)28(21-27)30-20-25(13-16-35-30)33(4,5)6/h7-21H,1-6H3.
What are the key properties of 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline?
8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline has a molecular weight of 487.65 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline is sourced from PubChem (CID 153428997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).