1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran

C34H22OS — CID 156552692

IUPAC1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C34H22OS/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(35-32)31-29-21-11-12-22-30(29)36-34(31)24-15-5-2-6-16-24/h1-22H
InChIKeyQGQGIRRFJRXLHC-UHFFFAOYSA-N
MW478.62 g/mol
LogP10.32
Rot. Bonds4

About 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran

1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran (PubChem CID 156552692) has the molecular formula C34H22OS and a molecular weight of 478.62 g/mol. Its IUPAC name is 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
PubChem CID156552692
Molecular FormulaC34H22OS
Molecular Weight478.62 g/mol
Exact Mass478.14
IUPAC Name1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C34H22OS/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(35-32)31-29-21-11-12-22-30(29)36-34(31)24-15-5-2-6-16-24/h1-22H
InChIKeyQGQGIRRFJRXLHC-UHFFFAOYSA-N
XLogP10.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-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

1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552681
1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
CID 156553154
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552693
2-phenyl-1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]indolizine
CID 156552702
2-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
CID 156552730
1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
CID 156553333
9-[2-phenyl-3-[3-(2-phenylphenyl)-2-benzofuran-1-yl]phenyl]carbazole
CID 156553068
2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine
CID 156553182
1-phenyldibenzothiophene;hydrobromide
CID 174679709
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
CID 156553370

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
The IUPAC name of 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran (CID 156552692) is 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran.
What is the SMILES notation for 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
The canonical SMILES for 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran is c1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
The InChIKey is QGQGIRRFJRXLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22OS/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(35-32)31-29-21-11-12-22-30(29)36-34(31)24-15-5-2-6-16-24/h1-22H.
What are the key properties of 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran?
1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran has a molecular weight of 478.62 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran is sourced from PubChem (CID 156552692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).