1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran

C36H40O — CID 146579183

IUPAC1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran
SMILESCC(C)(C)c1cc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C36H40O/c1-34(2,3)25-20-24(21-26(22-25)35(4,5)6)28-18-19-30-32(33(28)36(7,8)9)31-27(16-13-17-29(31)37-30)23-14-11-10-12-15-23/h10-22H,1-9H3
InChIKeySEFPVEMJFYKDDG-UHFFFAOYSA-N
MW488.72 g/mol
LogP10.81
Rot. Bonds2

About 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran

1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran (PubChem CID 146579183) has the molecular formula C36H40O and a molecular weight of 488.72 g/mol. Its IUPAC name is 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran.

Molecular Properties

Compound Name1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran
PubChem CID146579183
Molecular FormulaC36H40O
Molecular Weight488.72 g/mol
Exact Mass488.31
IUPAC Name1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran
SMILESCC(C)(C)c1cc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C36H40O/c1-34(2,3)25-20-24(21-26(22-25)35(4,5)6)28-18-19-30-32(33(28)36(7,8)9)31-27(16-13-17-29(31)37-30)23-14-11-10-12-15-23/h10-22H,1-9H3
InChIKeySEFPVEMJFYKDDG-UHFFFAOYSA-N
XLogP10.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-9-(3,5-ditert-butylphenyl)-2-phenyldibenzofuran
CID 146579029
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 153490524
1-tert-butyl-9-(3,5-ditert-butylphenyl)-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran
CID 159069559
9-(3,5-ditert-butylphenyl)-1-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 164845206
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;1-tert-butyl-2,9-diphenyldibenzofuran;1-tert-butyl-9-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;1,2-ditert-butyl-9-phenyldibenzofuran
CID 165096728
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane
CID 158466026
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301769
1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran
CID 165087419
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170296789
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170301767
3,5-ditert-butyl-N-(2-dibenzofuran-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170295103

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran?
The IUPAC name of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran (CID 146579183) is 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran.
What is the SMILES notation for 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran?
The canonical SMILES for 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran is CC(C)(C)c1cc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran?
The InChIKey is SEFPVEMJFYKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40O/c1-34(2,3)25-20-24(21-26(22-25)35(4,5)6)28-18-19-30-32(33(28)36(7,8)9)31-27(16-13-17-29(31)37-30)23-14-11-10-12-15-23/h10-22H,1-9H3.
What are the key properties of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran?
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran has a molecular weight of 488.72 g/mol, XLogP of 10.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran is sourced from PubChem (CID 146579183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).