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

C45H26N4OS — CID 163441133

IUPAC9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c4ccc4c5ccccc5n(-c5ccccc5)c43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-3-11-27(12-4-1)43-46-44(28-20-24-40-36(25-28)33-16-8-10-18-39(33)51-40)48-45(47-43)29-19-21-32-35-23-22-34-31-15-7-9-17-37(31)49(30-13-5-2-6-14-30)41(34)42(35)50-38(32)26-29/h1-26H
InChIKeyRIVKTYQKUPNIEM-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

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

9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 163441133) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID163441133
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c4ccc4c5ccccc5n(-c5ccccc5)c43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-3-11-27(12-4-1)43-46-44(28-20-24-40-36(25-28)33-16-8-10-18-39(33)51-40)48-45(47-43)29-19-21-32-35-23-22-34-31-15-7-9-17-37(31)49(30-13-5-2-6-14-30)41(34)42(35)50-38(32)26-29/h1-26H
InChIKeyRIVKTYQKUPNIEM-UHFFFAOYSA-N
XLogP12.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[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

Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163579261
12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 161021857
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603
10-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163782384
12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 90085608
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
12-[3-(4-phenylphenyl)phenyl]-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163675437
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085
9-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1-dibenzothiophen-2-ylcarbazole
CID 163483112
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146
11-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]isochromeno[3,4-a]carbazol-13-one
CID 122677290

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 163441133) is 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3c4ccc4c5ccccc5n(-c5ccccc5)c43)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is RIVKTYQKUPNIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-3-11-27(12-4-1)43-46-44(28-20-24-40-36(25-28)33-16-8-10-18-39(33)51-40)48-45(47-43)29-19-21-32-35-23-22-34-31-15-7-9-17-37(31)49(30-13-5-2-6-14-30)41(34)42(35)50-38(32)26-29/h1-26H.
What are the key properties of 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 670.80 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163441133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).