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

C167H104F12N12S3 — CID 160639210

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C61H35F9N4S.C53H33F3N4S.C53H36N4S/c1-34-24-41(26-43(25-34)59(62,63)64)39-16-20-46-47-21-17-40(42-27-44(60(65,66)67)33-45(28-42)61(68,69)70)32-53(47)74(52(46)31-39)51-22-18-37(38-19-23-55-49(29-38)48-14-8-9-15-54(48)75-55)30-50(51)58-72-56(35-10-4-2-5-11-35)71-57(73-58)36-12-6-3-7-13-36;1-32-26-38(28-39(27-32)53(54,55)56)37-21-23-46-42(29-37)40-16-8-10-18-45(40)60(46)47-24-20-35(36-22-25-49-43(30-36)41-17-9-11-19-48(41)61-49)31-44(47)52-58-50(33-12-4-2-5-13-33)57-51(59-52)34-14-6-3-7-15-34;1-33-27-34(2)29-40(28-33)39-21-24-42-41-17-9-11-19-46(41)57(48(42)32-39)47-25-22-37(38-23-26-50-44(30-38)43-18-10-12-20-49(43)58-50)31-45(47)53-55-51(35-13-5-3-6-14-35)54-52(56-53)36-15-7-4-8-16-36/h2-33H,1H3;2-31H,1H3;3-32H,1-2H3
InChIKeyRIYGLVJSGHKEMB-UHFFFAOYSA-N
MW2602.93 g/mol
LogP47.99
Rot. Bonds19

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

2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 160639210) has the molecular formula C167H104F12N12S3 and a molecular weight of 2602.93 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
PubChem CID160639210
Molecular FormulaC167H104F12N12S3
Molecular Weight2602.93 g/mol
Exact Mass2600.75
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C61H35F9N4S.C53H33F3N4S.C53H36N4S/c1-34-24-41(26-43(25-34)59(62,63)64)39-16-20-46-47-21-17-40(42-27-44(60(65,66)67)33-45(28-42)61(68,69)70)32-53(47)74(52(46)31-39)51-22-18-37(38-19-23-55-49(29-38)48-14-8-9-15-54(48)75-55)30-50(51)58-72-56(35-10-4-2-5-11-35)71-57(73-58)36-12-6-3-7-13-36;1-32-26-38(28-39(27-32)53(54,55)56)37-21-23-46-42(29-37)40-16-8-10-18-45(40)60(46)47-24-20-35(36-22-25-49-43(30-36)41-17-9-11-19-48(41)61-49)31-44(47)52-58-50(33-12-4-2-5-13-33)57-51(59-52)34-14-6-3-7-15-34;1-33-27-34(2)29-40(28-33)39-21-24-42-41-17-9-11-19-46(41)57(48(42)32-39)47-25-22-37(38-23-26-50-44(30-38)43-18-10-12-20-49(43)58-50)31-45(47)53-55-51(35-13-5-3-6-14-35)54-52(56-53)36-15-7-4-8-16-36/h2-33H,1H3;2-31H,1H3;3-32H,1-2H3
InChIKeyRIYGLVJSGHKEMB-UHFFFAOYSA-N
XLogP47.99
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002602.93
LogP ≤ 547.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

9-[2-[3-[2-[3,6-Bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane
CID 163651179
12-[4,6-Bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 163673422
12-[4-(9-Phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 129225032
9-[4-(4-Dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225566
11-Phenyl-19-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129298010
2-[5-[9-Dibenzothiophen-3-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]cyclohept-5-en-2-yn-1-yl]benzenethiol
CID 134222562
3-[8-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-phenylpyrimidin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 134222914
9-Dibenzothiophen-2-yl-3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-4-methylphenyl]carbazole
CID 134223179
3-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-(4-methyl-3,4-dihydrodibenzothiophen-2-yl)carbazole
CID 134223190
9-[4-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole
CID 134223573
3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]carbazole
CID 134223576
7-(4,6-Diphenylpyrimidin-2-yl)-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223730

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (CID 160639210) is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is RIYGLVJSGHKEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35F9N4S.C53H33F3N4S.C53H36N4S/c1-34-24-41(26-43(25-34)59(62,63)64)39-16-20-46-47-21-17-40(42-27-44(60(65,66)67)33-45(28-42)61(68,69)70)32-53(47)74(52(46)31-39)51-22-18-37(38-19-23-55-49(29-38)48-14-8-9-15-54(48)75-55)30-50(51)58-72-56(35-10-4-2-5-11-35)71-57(73-58)36-12-6-3-7-13-36;1-32-26-38(28-39(27-32)53(54,55)56)37-21-23-46-42(29-37)40-16-8-10-18-45(40)60(46)47-24-20-35(36-22-25-49-43(30-36)41-17-9-11-19-48(41)61-49)31-44(47)52-58-50(33-12-4-2-5-13-33)57-51(59-52)34-14-6-3-7-15-34;1-33-27-34(2)29-40(28-33)39-21-24-42-41-17-9-11-19-46(41)57(48(42)32-39)47-25-22-37(38-23-26-50-44(30-38)43-18-10-12-20-49(43)58-50)31-45(47)53-55-51(35-13-5-3-6-14-35)54-52(56-53)36-15-7-4-8-16-36/h2-33H,1H3;2-31H,1H3;3-32H,1-2H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 2602.93 g/mol, XLogP of 47.99, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 160639210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).