4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol

C30H31N3O — CID 163815898

IUPAC4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(-c2nc(C3C=CC=CC3)c(C3=CCCC=C3)n2-c2cccnc2)c1
InChIInChI=1S/C30H31N3O/c1-30(2,3)23-16-17-26(34)25(19-23)29-32-27(21-11-6-4-7-12-21)28(22-13-8-5-9-14-22)33(29)24-15-10-18-31-20-24/h4,6-8,10-11,13-21,34H,5,9,12H2,1-3H3
InChIKeyNRHICGIGXFYTBV-UHFFFAOYSA-N
MW449.60 g/mol
LogP7.27
Rot. Bonds4

About 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol

4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol (PubChem CID 163815898) has the molecular formula C30H31N3O and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol
PubChem CID163815898
Molecular FormulaC30H31N3O
Molecular Weight449.60 g/mol
Exact Mass449.25
IUPAC Name4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(-c2nc(C3C=CC=CC3)c(C3=CCCC=C3)n2-c2cccnc2)c1
InChIInChI=1S/C30H31N3O/c1-30(2,3)23-16-17-26(34)25(19-23)29-32-27(21-11-6-4-7-12-21)28(22-13-8-5-9-14-22)33(29)24-15-10-18-31-20-24/h4,6-8,10-11,13-21,34H,5,9,12H2,1-3H3
InChIKeyNRHICGIGXFYTBV-UHFFFAOYSA-N
XLogP7.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-5-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-1,2,4-triazole
CID 126683039
4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864551
4-tert-butyl-2-[6-tert-butyl-1-(4-tert-butylphenyl)-4-[3-(7-tert-butylquinoxalin-5-yl)phenyl]benzimidazol-2-yl]phenol
CID 177111024
7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline
CID 123773941
4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177110396
4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864541
4-tert-butyl-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol
CID 135974008
4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
CID 10351338
4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177110719
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-(2,6-dimethylphenyl)phenyl]-6-(2,6-dimethylphenyl)benzimidazol-2-yl]phenol
CID 177109874
2,4-ditert-butyl-6-[4-[3-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(2,6-diphenylphenyl)benzimidazol-2-yl]phenol
CID 153304008

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol?
The IUPAC name of 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol (CID 163815898) is 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol?
The canonical SMILES for 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol is CC(C)(C)c1ccc(O)c(-c2nc(C3C=CC=CC3)c(C3=CCCC=C3)n2-c2cccnc2)c1.
What is the InChIKey of 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol?
The InChIKey is NRHICGIGXFYTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O/c1-30(2,3)23-16-17-26(34)25(19-23)29-32-27(21-11-6-4-7-12-21)28(22-13-8-5-9-14-22)33(29)24-15-10-18-31-20-24/h4,6-8,10-11,13-21,34H,5,9,12H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol?
4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol has a molecular weight of 449.60 g/mol, XLogP of 7.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol is sourced from PubChem (CID 163815898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).