12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole

C57H33N5OS — CID 90211189

IUPAC12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc65)cccc34)n2)cc1
InChIInChI=1S/C57H33N5OS/c1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)44-24-13-22-42-43-23-14-27-49(54(43)64-53(42)44)62-47-26-11-8-20-38(47)45-33-36(29-32-48(45)62)61-46-25-10-7-19-37(46)40-30-31-41-39-21-9-12-28-50(39)63-52(41)51(40)61/h1-33H
InChIKeyLRZYSGWADNEXNW-UHFFFAOYSA-N
MW835.99 g/mol
LogP15.33
Rot. Bonds5

About 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole

12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 90211189) has the molecular formula C57H33N5OS and a molecular weight of 835.99 g/mol. Its IUPAC name is 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID90211189
Molecular FormulaC57H33N5OS
Molecular Weight835.99 g/mol
Exact Mass835.24
IUPAC Name12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc65)cccc34)n2)cc1
InChIInChI=1S/C57H33N5OS/c1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)44-24-13-22-42-43-23-14-27-49(54(43)64-53(42)44)62-47-26-11-8-20-38(47)45-33-36(29-32-48(45)62)61-46-25-10-7-19-37(46)40-30-31-41-39-21-9-12-28-50(39)63-52(41)51(40)61/h1-33H
InChIKeyLRZYSGWADNEXNW-UHFFFAOYSA-N
XLogP15.33
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.99
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]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 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole (CID 90211189) is 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc65)cccc34)n2)cc1.
What is the InChIKey of 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is LRZYSGWADNEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5OS/c1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)44-24-13-22-42-43-23-14-27-49(54(43)64-53(42)44)62-47-26-11-8-20-38(47)45-33-36(29-32-48(45)62)61-46-25-10-7-19-37(46)40-30-31-41-39-21-9-12-28-50(39)63-52(41)51(40)61/h1-33H.
What are the key properties of 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?
12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 835.99 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 90211189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).