9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole

C59H40N4S — CID 155232386

IUPAC9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C59H40N4S/c1-37-15-9-11-21-45(37)43-26-29-47-48-30-27-44(46-22-12-10-16-38(46)2)35-54(48)63(53(47)34-43)52-32-28-41(42-25-31-50-49-23-13-14-24-55(49)64-56(50)36-42)33-51(52)59-61-57(39-17-5-3-6-18-39)60-58(62-59)40-19-7-4-8-20-40/h3-36H,1-2H3
InChIKeyFDGAQGBVFYBWJU-UHFFFAOYSA-N
MW837.06 g/mol
LogP15.96
Rot. Bonds7

About 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole

9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole (PubChem CID 155232386) has the molecular formula C59H40N4S and a molecular weight of 837.06 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
PubChem CID155232386
Molecular FormulaC59H40N4S
Molecular Weight837.06 g/mol
Exact Mass836.30
IUPAC Name9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C59H40N4S/c1-37-15-9-11-21-45(37)43-26-29-47-48-30-27-44(46-22-12-10-16-38(46)2)35-54(48)63(53(47)34-43)52-32-28-41(42-25-31-50-49-23-13-14-24-55(49)64-56(50)36-42)33-51(52)59-61-57(39-17-5-3-6-18-39)60-58(62-59)40-19-7-4-8-20-40/h3-36H,1-2H3
InChIKeyFDGAQGBVFYBWJU-UHFFFAOYSA-N
XLogP15.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.06
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)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-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 155233274
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155232399
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole
CID 155232421
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole
CID 155628000
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155232338
2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole
CID 159803702
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155232271
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 138566151
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
CID 161149677
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155233047
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 137414581

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole?
The IUPAC name of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole (CID 155232386) is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole?
The canonical SMILES for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole?
The InChIKey is FDGAQGBVFYBWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4S/c1-37-15-9-11-21-45(37)43-26-29-47-48-30-27-44(46-22-12-10-16-38(46)2)35-54(48)63(53(47)34-43)52-32-28-41(42-25-31-50-49-23-13-14-24-55(49)64-56(50)36-42)33-51(52)59-61-57(39-17-5-3-6-18-39)60-58(62-59)40-19-7-4-8-20-40/h3-36H,1-2H3.
What are the key properties of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole?
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole has a molecular weight of 837.06 g/mol, XLogP of 15.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole is sourced from PubChem (CID 155232386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).