2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran

C27H30O — CID 176635328

IUPAC2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran
SMILESCc1ccc(-c2cccc3c2oc2c(C(C)(C)C)cc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C27H30O/c1-17-11-13-18(14-12-17)20-9-8-10-21-22-15-19(26(2,3)4)16-23(27(5,6)7)25(22)28-24(20)21/h8-16H,1-7H3
InChIKeyODOOBAMPXCMEEQ-UHFFFAOYSA-N
MW370.54 g/mol
LogP8.16
Rot. Bonds1

About 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran

2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran (PubChem CID 176635328) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran
PubChem CID176635328
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran
SMILESCc1ccc(-c2cccc3c2oc2c(C(C)(C)C)cc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C27H30O/c1-17-11-13-18(14-12-17)20-9-8-10-21-22-15-19(26(2,3)4)16-23(27(5,6)7)25(22)28-24(20)21/h8-16H,1-7H3
InChIKeyODOOBAMPXCMEEQ-UHFFFAOYSA-N
XLogP8.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161396078
18-(3,5-ditert-butylphenyl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348364
4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline
CID 177242586
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 177242641
2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 177242681
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760818
5-(4-methylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 142315579
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]dibenzofuran-4-yl]aniline;4-methyl-N-[4-[6-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-methylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[6-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline
CID 158337662
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran?
The IUPAC name of 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran (CID 176635328) is 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran.
What is the SMILES notation for 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran?
The canonical SMILES for 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran is Cc1ccc(-c2cccc3c2oc2c(C(C)(C)C)cc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran?
The InChIKey is ODOOBAMPXCMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-17-11-13-18(14-12-17)20-9-8-10-21-22-15-19(26(2,3)4)16-23(27(5,6)7)25(22)28-24(20)21/h8-16H,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran?
2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran has a molecular weight of 370.54 g/mol, XLogP of 8.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran is sourced from PubChem (CID 176635328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).