3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran

C31H22O — CID 67964733

IUPAC3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C31H22O/c1-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-29-28-4-2-3-5-30(28)32-31(29)20-27/h2-20H,1H3
InChIKeyRPJGLRUKYVTHHH-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.90
Rot. Bonds3

About 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran

3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran (PubChem CID 67964733) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
PubChem CID67964733
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C31H22O/c1-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-29-28-4-2-3-5-30(28)32-31(29)20-27/h2-20H,1H3
InChIKeyRPJGLRUKYVTHHH-UHFFFAOYSA-N
XLogP8.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)dibenzofuran
CID 70924364
1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
CID 134513522
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
3-naphthalen-2-yldibenzofuran
CID 68932481
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2-(7-methylphenanthren-2-yl)dibenzofuran
CID 118887116
3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
CID 166921667
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
CID 174102994
CID 174102994
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
The IUPAC name of 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran (CID 67964733) is 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
The canonical SMILES for 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran is Cc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
The InChIKey is RPJGLRUKYVTHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c1-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-29-28-4-2-3-5-30(28)32-31(29)20-27/h2-20H,1H3.
What are the key properties of 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran has a molecular weight of 410.52 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 67964733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).