7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C52H28N2O2S2 — CID 163273042

IUPAC7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c34)c3sc4cc(-c5ccc6c(c5)oc5ccccc56)ccc4c3n2)cc1
InChIInChI=1S/C52H28N2O2S2/c1-2-9-29(10-3-1)52-53-49-37-22-18-33(32-17-21-35-34-11-4-6-14-41(34)56-44(35)27-32)28-47(37)58-51(49)50(54-52)38-13-8-15-43-48(38)40-26-30(19-23-42(40)55-43)31-20-24-46-39(25-31)36-12-5-7-16-45(36)57-46/h1-28H
InChIKeyKXEBGRWPYGUONZ-UHFFFAOYSA-N
MW776.94 g/mol
LogP15.68
Rot. Bonds4

About 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 163273042) has the molecular formula C52H28N2O2S2 and a molecular weight of 776.94 g/mol. Its IUPAC name is 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID163273042
Molecular FormulaC52H28N2O2S2
Molecular Weight776.94 g/mol
Exact Mass776.16
IUPAC Name7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c34)c3sc4cc(-c5ccc6c(c5)oc5ccccc56)ccc4c3n2)cc1
InChIInChI=1S/C52H28N2O2S2/c1-2-9-29(10-3-1)52-53-49-37-22-18-33(32-17-21-35-34-11-4-6-14-41(34)56-44(35)27-32)28-47(37)58-51(49)50(54-52)38-13-8-15-43-48(38)40-26-30(19-23-42(40)55-43)31-20-24-46-39(25-31)36-12-5-7-16-45(36)57-46/h1-28H
InChIKeyKXEBGRWPYGUONZ-UHFFFAOYSA-N
XLogP15.68
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine 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-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 160849597
2-chloro-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163273059
4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152847637
4-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152851071
4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142519709
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142519706
2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(6-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 158245643
2-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978767
7-dibenzofuran-1-yl-4-dibenzofuran-3-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-1-yl-7-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;7-dibenzofuran-1-yl-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 163922463
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 148816222
4-phenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177129873

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 163273042) is 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c34)c3sc4cc(-c5ccc6c(c5)oc5ccccc56)ccc4c3n2)cc1.
What is the InChIKey of 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is KXEBGRWPYGUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N2O2S2/c1-2-9-29(10-3-1)52-53-49-37-22-18-33(32-17-21-35-34-11-4-6-14-41(34)56-44(35)27-32)28-47(37)58-51(49)50(54-52)38-13-8-15-43-48(38)40-26-30(19-23-42(40)55-43)31-20-24-46-39(25-31)36-12-5-7-16-45(36)57-46/h1-28H.
What are the key properties of 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 776.94 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 163273042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).