5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole

C48H28N2OS — CID 134223389

IUPAC5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-39-24-20-29(27-38(39)46-41(49)26-23-36-34-16-8-10-18-44(34)52-48(36)46)30-19-21-37-42(28-30)50(32-13-5-2-6-14-32)40-25-22-35-33-15-7-9-17-43(33)51-47(35)45(37)40/h1-28H
InChIKeyMUDSSPGHRAUUFH-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole

5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 134223389) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID134223389
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-39-24-20-29(27-38(39)46-41(49)26-23-36-34-16-8-10-18-44(34)52-48(36)46)30-19-21-37-42(28-30)50(32-13-5-2-6-14-32)40-25-22-35-33-15-7-9-17-43(33)51-47(35)45(37)40/h1-28H
InChIKeyMUDSSPGHRAUUFH-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[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-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 134223389) is 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc3c3c4oc5ccccc5c4ccc32)cc1.
What is the InChIKey of 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is MUDSSPGHRAUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-39-24-20-29(27-38(39)46-41(49)26-23-36-34-16-8-10-18-44(34)52-48(36)46)30-19-21-37-42(28-30)50(32-13-5-2-6-14-32)40-25-22-35-33-15-7-9-17-43(33)51-47(35)45(37)40/h1-28H.
What are the key properties of 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 680.83 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134223389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).