3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran

C32H32O — CID 167166746

IUPAC3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran
SMILESCC(C)(C)c1ccc2c(c1)oc1cc(CC(C)(C)c3cccc(-c4ccccc4)c3)ccc12
InChIInChI=1S/C32H32O/c1-31(2,3)25-15-17-28-27-16-14-22(18-29(27)33-30(28)20-25)21-32(4,5)26-13-9-12-24(19-26)23-10-7-6-8-11-23/h6-20H,21H2,1-5H3
InChIKeyDLMUYXGBEBUFLE-UHFFFAOYSA-N
MW432.61 g/mol
LogP9.07
Rot. Bonds4

About 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran

3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran (PubChem CID 167166746) has the molecular formula C32H32O and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran.

Molecular Properties

Compound Name3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran
PubChem CID167166746
Molecular FormulaC32H32O
Molecular Weight432.61 g/mol
Exact Mass432.25
IUPAC Name3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran
SMILESCC(C)(C)c1ccc2c(c1)oc1cc(CC(C)(C)c3cccc(-c4ccccc4)c3)ccc12
InChIInChI=1S/C32H32O/c1-31(2,3)25-15-17-28-27-16-14-22(18-29(27)33-30(28)20-25)21-32(4,5)26-13-9-12-24(19-26)23-10-7-6-8-11-23/h6-20H,21H2,1-5H3
InChIKeyDLMUYXGBEBUFLE-UHFFFAOYSA-N
XLogP9.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-7-(3-phenylphenyl)dibenzofuran
CID 162363334
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
2-tert-butyl-7-(2-dibenzothiophen-4-yl-2-methylpropyl)dibenzofuran
CID 135143716
2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
CID 158261275
3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran
CID 156573505
4-[3-[1-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]-2-methylpropan-2-yl]phenyl]benzonitrile
CID 167162665
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 168759232
2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one
CID 123850390
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 146603265
1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran
CID 160962612

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran?
The IUPAC name of 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran (CID 167166746) is 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran.
What is the SMILES notation for 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran?
The canonical SMILES for 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran is CC(C)(C)c1ccc2c(c1)oc1cc(CC(C)(C)c3cccc(-c4ccccc4)c3)ccc12.
What is the InChIKey of 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran?
The InChIKey is DLMUYXGBEBUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O/c1-31(2,3)25-15-17-28-27-16-14-22(18-29(27)33-30(28)20-25)21-32(4,5)26-13-9-12-24(19-26)23-10-7-6-8-11-23/h6-20H,21H2,1-5H3.
What are the key properties of 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran?
3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran has a molecular weight of 432.61 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran is sourced from PubChem (CID 167166746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).