5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole

C60H35NO2S — CID 58004096

IUPAC5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccc6sc7c(ccc8c7c7cc(-c9ccc%10oc%11ccc(-c%12ccccc%12)cc%11c%10c9)ccc7n8-c7ccccc7)c6c5)cc4c3c2)cc1
InChIInChI=1S/C60H35NO2S/c1-4-10-36(11-5-1)38-17-25-54-46(30-38)48-32-41(19-27-56(48)62-54)40-16-23-52-51(35-40)59-53(61(52)44-14-8-3-9-15-44)24-22-45-50-34-43(21-29-58(50)64-60(45)59)42-20-28-57-49(33-42)47-31-39(18-26-55(47)63-57)37-12-6-2-7-13-37/h1-35H
InChIKeyKZNUFVLBLXAJSV-UHFFFAOYSA-N
MW834.01 g/mol
LogP17.62
Rot. Bonds5

About 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole

5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 58004096) has the molecular formula C60H35NO2S and a molecular weight of 834.01 g/mol. Its IUPAC name is 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID58004096
Molecular FormulaC60H35NO2S
Molecular Weight834.01 g/mol
Exact Mass833.24
IUPAC Name5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccc6sc7c(ccc8c7c7cc(-c9ccc%10oc%11ccc(-c%12ccccc%12)cc%11c%10c9)ccc7n8-c7ccccc7)c6c5)cc4c3c2)cc1
InChIInChI=1S/C60H35NO2S/c1-4-10-36(11-5-1)38-17-25-54-46(30-38)48-32-41(19-27-56(48)62-54)40-16-23-52-51(35-40)59-53(61(52)44-14-8-3-9-15-44)24-22-45-50-34-43(21-29-58(50)64-60(45)59)42-20-28-57-49(33-42)47-31-39(18-26-55(47)63-57)37-12-6-2-7-13-37/h1-35H
InChIKeyKZNUFVLBLXAJSV-UHFFFAOYSA-N
XLogP17.62
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.01
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole 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 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole (CID 58004096) is 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2ccc3oc4ccc(-c5ccc6sc7c(ccc8c7c7cc(-c9ccc%10oc%11ccc(-c%12ccccc%12)cc%11c%10c9)ccc7n8-c7ccccc7)c6c5)cc4c3c2)cc1.
What is the InChIKey of 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is KZNUFVLBLXAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35NO2S/c1-4-10-36(11-5-1)38-17-25-54-46(30-38)48-32-41(19-27-56(48)62-54)40-16-23-52-51(35-40)59-53(61(52)44-14-8-3-9-15-44)24-22-45-50-34-43(21-29-58(50)64-60(45)59)42-20-28-57-49(33-42)47-31-39(18-26-55(47)63-57)37-12-6-2-7-13-37/h1-35H.
What are the key properties of 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole?
5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 834.01 g/mol, XLogP of 17.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,9-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 58004096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).