4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine

C37H31N3O — CID 155614562

IUPAC4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine
SMILESCC(C)(C)c1cc(Oc2cccc(-n3ccnc3)c2)nc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C37H31N3O/c1-36(2,3)27-22-34(39-35(23-27)41-29-15-11-14-28(24-29)40-21-20-38-25-40)37(26-12-5-4-6-13-26)32-18-9-7-16-30(32)31-17-8-10-19-33(31)37/h4-25H,1-3H3
InChIKeyOQASZOZZVDAXPH-UHFFFAOYSA-N
MW533.68 g/mol
LogP8.72
Rot. Bonds5

About 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine

4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine (PubChem CID 155614562) has the molecular formula C37H31N3O and a molecular weight of 533.68 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine
PubChem CID155614562
Molecular FormulaC37H31N3O
Molecular Weight533.68 g/mol
Exact Mass533.25
IUPAC Name4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine
SMILESCC(C)(C)c1cc(Oc2cccc(-n3ccnc3)c2)nc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C37H31N3O/c1-36(2,3)27-22-34(39-35(23-27)41-29-15-11-14-28(24-29)40-21-20-38-25-40)37(26-12-5-4-6-13-26)32-18-9-7-16-30(32)31-17-8-10-19-33(31)37/h4-25H,1-3H3
InChIKeyOQASZOZZVDAXPH-UHFFFAOYSA-N
XLogP8.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine (CID 155614562) is 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine is CC(C)(C)c1cc(Oc2cccc(-n3ccnc3)c2)nc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine?
The InChIKey is OQASZOZZVDAXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3O/c1-36(2,3)27-22-34(39-35(23-27)41-29-15-11-14-28(24-29)40-21-20-38-25-40)37(26-12-5-4-6-13-26)32-18-9-7-16-30(32)31-17-8-10-19-33(31)37/h4-25H,1-3H3.
What are the key properties of 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine?
4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine has a molecular weight of 533.68 g/mol, XLogP of 8.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine is sourced from PubChem (CID 155614562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).