4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran

C31H22O — CID 70812680

IUPAC4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C31H22O/c1-21-14-16-23(17-15-21)25-18-24(22-8-3-2-4-9-22)19-26(20-25)27-11-7-12-29-28-10-5-6-13-30(28)32-31(27)29/h2-20H,1H3
InChIKeyCIJKOBTYNSTTID-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.90
Rot. Bonds3

About 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran

4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran (PubChem CID 70812680) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
PubChem CID70812680
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C31H22O/c1-21-14-16-23(17-15-21)25-18-24(22-8-3-2-4-9-22)19-26(20-25)27-11-7-12-29-28-10-5-6-13-30(28)32-31(27)29/h2-20H,1H3
InChIKeyCIJKOBTYNSTTID-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

4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
CID 59136862
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran?
The IUPAC name of 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran (CID 70812680) is 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran.
What is the SMILES notation for 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran?
The canonical SMILES for 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran?
The InChIKey is CIJKOBTYNSTTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c1-21-14-16-23(17-15-21)25-18-24(22-8-3-2-4-9-22)19-26(20-25)27-11-7-12-29-28-10-5-6-13-30(28)32-31(27)29/h2-20H,1H3.
What are the key properties of 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran?
4-[3-(4-methylphenyl)-5-phenylphenyl]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 4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran is sourced from PubChem (CID 70812680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).