4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran

C32H20OS — CID 151717363

IUPAC4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran
SMILESc1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3occc23)c1
InChIInChI=1S/C32H20OS/c1-2-16-31-28(11-1)29-14-5-13-26(32(29)34-31)24-10-4-8-22(20-24)21-7-3-9-23(19-21)25-12-6-15-30-27(25)17-18-33-30/h1-20H
InChIKeyRHVMYVWCECWUKH-UHFFFAOYSA-N
MW452.58 g/mol
LogP9.80
Rot. Bonds3

About 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran

4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran (PubChem CID 151717363) has the molecular formula C32H20OS and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran.

Molecular Properties

Compound Name4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran
PubChem CID151717363
Molecular FormulaC32H20OS
Molecular Weight452.58 g/mol
Exact Mass452.12
IUPAC Name4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran
SMILESc1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3occc23)c1
InChIInChI=1S/C32H20OS/c1-2-16-31-28(11-1)29-14-5-13-26(32(29)34-31)24-10-4-8-22(20-24)21-7-3-9-23(19-21)25-12-6-15-30-27(25)17-18-33-30/h1-20H
InChIKeyRHVMYVWCECWUKH-UHFFFAOYSA-N
XLogP9.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
5-[3-[10-[3-(1-benzofuran-4-yl)phenyl]anthracen-9-yl]phenyl]-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 170212512
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
2,5-bis(3-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332108
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-phenylxanthen-9-one
CID 177106363

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran?
The IUPAC name of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran (CID 151717363) is 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran.
What is the SMILES notation for 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran?
The canonical SMILES for 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran is c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3occc23)c1.
What is the InChIKey of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran?
The InChIKey is RHVMYVWCECWUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20OS/c1-2-16-31-28(11-1)29-14-5-13-26(32(29)34-31)24-10-4-8-22(20-24)21-7-3-9-23(19-21)25-12-6-15-30-27(25)17-18-33-30/h1-20H.
What are the key properties of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran?
4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran has a molecular weight of 452.58 g/mol, XLogP of 9.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-1-benzofuran is sourced from PubChem (CID 151717363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).