6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran

C50H32OS — CID 166689907

IUPAC6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
SMILESC1=C(c2c3ccccc3c(-c3cccc4c3oc3ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc34)c3ccccc23)CCS1
InChIInChI=1S/C50H32OS/c1-2-13-31(14-3-1)46-34-15-4-6-17-36(34)47(37-18-7-5-16-35(37)46)32-25-26-45-44(29-32)42-23-12-24-43(50(42)51-45)49-40-21-10-8-19-38(40)48(33-27-28-52-30-33)39-20-9-11-22-41(39)49/h1-26,29-30H,27-28H2
InChIKeyCQJLKCMUTPVWJC-UHFFFAOYSA-N
MW680.87 g/mol
LogP14.68
Rot. Bonds4

About 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran

6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 166689907) has the molecular formula C50H32OS and a molecular weight of 680.87 g/mol. Its IUPAC name is 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID166689907
Molecular FormulaC50H32OS
Molecular Weight680.87 g/mol
Exact Mass680.22
IUPAC Name6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
SMILESC1=C(c2c3ccccc3c(-c3cccc4c3oc3ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc34)c3ccccc23)CCS1
InChIInChI=1S/C50H32OS/c1-2-13-31(14-3-1)46-34-15-4-6-17-36(34)47(37-18-7-5-16-35(37)46)32-25-26-45-44(29-32)42-23-12-24-43(50(42)51-45)49-40-21-10-8-19-38(40)48(33-27-28-52-30-33)39-20-9-11-22-41(39)49/h1-26,29-30H,27-28H2
InChIKeyCQJLKCMUTPVWJC-UHFFFAOYSA-N
XLogP14.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.87
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran 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

6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
2-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-6-phenyldibenzofuran
CID 170663533
2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 162423630
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 163477678
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-6-phenyldibenzofuran
CID 170663097
6-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662499
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
6-fluoro-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 170374774
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764

Frequently Asked Questions

What is the IUPAC name of 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran (CID 166689907) is 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran is C1=C(c2c3ccccc3c(-c3cccc4c3oc3ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc34)c3ccccc23)CCS1.
What is the InChIKey of 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is CQJLKCMUTPVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32OS/c1-2-13-31(14-3-1)46-34-15-4-6-17-36(34)47(37-18-7-5-16-35(37)46)32-25-26-45-44(29-32)42-23-12-24-43(50(42)51-45)49-40-21-10-8-19-38(40)48(33-27-28-52-30-33)39-20-9-11-22-41(39)49/h1-26,29-30H,27-28H2.
What are the key properties of 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?
6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 680.87 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 166689907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).