About diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane
diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane (PubChem CID 131966953) has the molecular formula C58H36N4OS2
and a molecular weight of 869.09 g/mol. Its IUPAC name is diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane.
Molecular Properties
| Compound Name | diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane |
|---|
| PubChem CID | 131966953 |
|---|
| Molecular Formula | C58H36N4OS2 |
|---|
| Molecular Weight | 869.09 g/mol |
|---|
| Exact Mass | 868.23 |
|---|
| IUPAC Name | diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane |
|---|
| SMILES | c1ccc(S(c2ccccc2)(c2cccc3c2oc2c(-n4c5ccccc5c5ncccc54)cccc23)c2cccc3c2sc2c(-n4c5ccccc5c5ncccc54)cccc23)cc1 |
|---|
| InChI | InChI=1S/C58H36N4OS2/c1-3-17-37(18-4-1)65(38-19-5-2-6-20-38,51-33-13-24-40-39-23-11-29-49(55(39)63-56(40)51)61-45-27-9-7-21-43(45)53-47(61)31-15-35-59-53)52-34-14-26-42-41-25-12-30-50(57(41)64-58(42)52)62-46-28-10-8-22-44(46)54-48(62)32-16-36-60-54/h1-36H |
|---|
| InChIKey | HQVDDLHJBNGCAL-UHFFFAOYSA-N |
|---|
| XLogP | 16.28 |
|---|
| TPSA | 48.78 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 65 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 869.09 |
| LogP ≤ 5 | 16.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane?
The IUPAC name of diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane (CID 131966953) is diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane.
What is the SMILES notation for diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane?
The canonical SMILES for diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane is c1ccc(S(c2ccccc2)(c2cccc3c2oc2c(-n4c5ccccc5c5ncccc54)cccc23)c2cccc3c2sc2c(-n4c5ccccc5c5ncccc54)cccc23)cc1.
What is the InChIKey of diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane?
The InChIKey is HQVDDLHJBNGCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4OS2/c1-3-17-37(18-4-1)65(38-19-5-2-6-20-38,51-33-13-24-40-39-23-11-29-49(55(39)63-56(40)51)61-45-27-9-7-21-43(45)53-47(61)31-15-35-59-53)52-34-14-26-42-41-25-12-30-50(57(41)64-58(42)52)62-46-28-10-8-22-44(46)54-48(62)32-16-36-60-54/h1-36H.
What are the key properties of diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane?
diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane has a molecular weight of 869.09 g/mol, XLogP of 16.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(6-pyrido[3,2-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[3,2-b]indol-5-yldibenzothiophen-4-yl)-λ4-sulfane is sourced from PubChem (CID 131966953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).