3-benzyl-7-(3-phenylphenyl)dibenzofuran

C31H22O — CID 162363334

IUPAC3-benzyl-7-(3-phenylphenyl)dibenzofuran
SMILESc1ccc(Cc2ccc3c(c2)oc2cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1
InChIInChI=1S/C31H22O/c1-3-8-22(9-4-1)18-23-14-16-28-29-17-15-27(21-31(29)32-30(28)19-23)26-13-7-12-25(20-26)24-10-5-2-6-11-24/h1-17,19-21H,18H2
InChIKeyDDOOTPRFYLBRHJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.51
Rot. Bonds4

About 3-benzyl-7-(3-phenylphenyl)dibenzofuran

3-benzyl-7-(3-phenylphenyl)dibenzofuran (PubChem CID 162363334) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-benzyl-7-(3-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name3-benzyl-7-(3-phenylphenyl)dibenzofuran
PubChem CID162363334
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name3-benzyl-7-(3-phenylphenyl)dibenzofuran
SMILESc1ccc(Cc2ccc3c(c2)oc2cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1
InChIInChI=1S/C31H22O/c1-3-8-22(9-4-1)18-23-14-16-28-29-17-15-27(21-31(29)32-30(28)19-23)26-13-7-12-25(20-26)24-10-5-2-6-11-24/h1-17,19-21H,18H2
InChIKeyDDOOTPRFYLBRHJ-UHFFFAOYSA-N
XLogP8.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(3-benzylphenyl)benzene
CID 175442136
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
CID 171596932
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-(3-phenylphenyl)dibenzofuran?
The IUPAC name of 3-benzyl-7-(3-phenylphenyl)dibenzofuran (CID 162363334) is 3-benzyl-7-(3-phenylphenyl)dibenzofuran.
What is the SMILES notation for 3-benzyl-7-(3-phenylphenyl)dibenzofuran?
The canonical SMILES for 3-benzyl-7-(3-phenylphenyl)dibenzofuran is c1ccc(Cc2ccc3c(c2)oc2cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1.
What is the InChIKey of 3-benzyl-7-(3-phenylphenyl)dibenzofuran?
The InChIKey is DDOOTPRFYLBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c1-3-8-22(9-4-1)18-23-14-16-28-29-17-15-27(21-31(29)32-30(28)19-23)26-13-7-12-25(20-26)24-10-5-2-6-11-24/h1-17,19-21H,18H2.
What are the key properties of 3-benzyl-7-(3-phenylphenyl)dibenzofuran?
3-benzyl-7-(3-phenylphenyl)dibenzofuran has a molecular weight of 410.52 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-(3-phenylphenyl)dibenzofuran is sourced from PubChem (CID 162363334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).