3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole

C51H32N4S — CID 154602092

IUPAC3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C51H32N4S/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)43-28-15-27-42-41-26-14-25-40(47(41)56-48(42)43)38-23-11-10-22-37(38)35-30-31-46-44(32-35)39-24-12-13-29-45(39)55(46)36-20-8-3-9-21-36/h1-32H
InChIKeyALEQSWYAPCFRRJ-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.67
Rot. Bonds6

About 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole

3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole (PubChem CID 154602092) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
PubChem CID154602092
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C51H32N4S/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)43-28-15-27-42-41-26-14-25-40(47(41)56-48(42)43)38-23-11-10-22-37(38)35-30-31-46-44(32-35)39-24-12-13-29-45(39)55(46)36-20-8-3-9-21-36/h1-32H
InChIKeyALEQSWYAPCFRRJ-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole 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-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 122501672
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771
10-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 153459461
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,12-diphenyl-[1]benzothiolo[2,3-a]carbazole
CID 163588004
9-phenyl-2-[2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]carbazole
CID 170192315
3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 155357131
10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 161495487
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole
CID 122224307
9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole
CID 160961281

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole (CID 154602092) is 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole?
The InChIKey is ALEQSWYAPCFRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)43-28-15-27-42-41-26-14-25-40(47(41)56-48(42)43)38-23-11-10-22-37(38)35-30-31-46-44(32-35)39-24-12-13-29-45(39)55(46)36-20-8-3-9-21-36/h1-32H.
What are the key properties of 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole?
3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole has a molecular weight of 732.91 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 154602092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).