11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole

C39H22N4OS — CID 118154141

IUPAC11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C39H22N4OS/c1-2-11-23(12-3-1)37-40-38(28-17-10-16-27-26-15-6-9-20-35(26)45-36(27)28)42-39(41-37)43-31-18-7-4-13-24(31)29-22-34-30(21-32(29)43)25-14-5-8-19-33(25)44-34/h1-22H
InChIKeyBZFGINXXOTZQHY-UHFFFAOYSA-N
MW594.70 g/mol
LogP10.57
Rot. Bonds3

About 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole

11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 118154141) has the molecular formula C39H22N4OS and a molecular weight of 594.70 g/mol. Its IUPAC name is 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID118154141
Molecular FormulaC39H22N4OS
Molecular Weight594.70 g/mol
Exact Mass594.15
IUPAC Name11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C39H22N4OS/c1-2-11-23(12-3-1)37-40-38(28-17-10-16-27-26-15-6-9-20-35(26)45-36(27)28)42-39(41-37)43-31-18-7-4-13-24(31)29-22-34-30(21-32(29)43)25-14-5-8-19-33(25)44-34/h1-22H
InChIKeyBZFGINXXOTZQHY-UHFFFAOYSA-N
XLogP10.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.70
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]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 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole (CID 118154141) is 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1.
What is the InChIKey of 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is BZFGINXXOTZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4OS/c1-2-11-23(12-3-1)37-40-38(28-17-10-16-27-26-15-6-9-20-35(26)45-36(27)28)42-39(41-37)43-31-18-7-4-13-24(31)29-22-34-30(21-32(29)43)25-14-5-8-19-33(25)44-34/h1-22H.
What are the key properties of 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 594.70 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 118154141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).