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

C139H86F6N12S3 — CID 158566420

IUPAC9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
SMILESCc1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H29F3N4S.C46H27F3N4S.C46H30N4S/c1-28-16-20-34-35-22-19-33(47(48,49)50)27-41(35)54(40(34)24-28)39-23-18-31(32-17-21-37-36-14-8-9-15-42(36)55-43(37)26-32)25-38(39)46-52-44(29-10-4-2-5-11-29)51-45(53-46)30-12-6-3-7-13-30;47-46(48,49)32-21-24-39-36(27-32)33-15-7-9-17-38(33)53(39)40-23-20-30(31-19-22-35-34-16-8-10-18-41(34)54-42(35)26-31)25-37(40)45-51-43(28-11-3-1-4-12-28)50-44(52-45)29-13-5-2-6-14-29;1-29-20-23-35-34-16-8-10-18-39(34)50(41(35)26-29)40-25-22-32(33-21-24-37-36-17-9-11-19-42(36)51-43(37)28-33)27-38(40)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31/h2-27H,1H3;1-27H;2-28H,1H3
InChIKeyHRNNHPOHEOYDNA-UHFFFAOYSA-N
MW2134.49 g/mol
LogP38.67
Rot. Bonds15

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

9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 158566420) has the molecular formula C139H86F6N12S3 and a molecular weight of 2134.49 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
PubChem CID158566420
Molecular FormulaC139H86F6N12S3
Molecular Weight2134.49 g/mol
Exact Mass2132.62
IUPAC Name9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
SMILESCc1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H29F3N4S.C46H27F3N4S.C46H30N4S/c1-28-16-20-34-35-22-19-33(47(48,49)50)27-41(35)54(40(34)24-28)39-23-18-31(32-17-21-37-36-14-8-9-15-42(36)55-43(37)26-32)25-38(39)46-52-44(29-10-4-2-5-11-29)51-45(53-46)30-12-6-3-7-13-30;47-46(48,49)32-21-24-39-36(27-32)33-15-7-9-17-38(33)53(39)40-23-20-30(31-19-22-35-34-16-8-10-18-41(34)54-42(35)26-31)25-37(40)45-51-43(28-11-3-1-4-12-28)50-44(52-45)29-13-5-2-6-14-29;1-29-20-23-35-34-16-8-10-18-39(34)50(41(35)26-29)40-25-22-32(33-21-24-37-36-17-9-11-19-42(36)51-43(37)28-33)27-38(40)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31/h2-27H,1H3;1-27H;2-28H,1H3
InChIKeyHRNNHPOHEOYDNA-UHFFFAOYSA-N
XLogP38.67
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002134.49
LogP ≤ 538.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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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-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole (CID 158566420) is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole is Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The InChIKey is HRNNHPOHEOYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29F3N4S.C46H27F3N4S.C46H30N4S/c1-28-16-20-34-35-22-19-33(47(48,49)50)27-41(35)54(40(34)24-28)39-23-18-31(32-17-21-37-36-14-8-9-15-42(36)55-43(37)26-32)25-38(39)46-52-44(29-10-4-2-5-11-29)51-45(53-46)30-12-6-3-7-13-30;47-46(48,49)32-21-24-39-36(27-32)33-15-7-9-17-38(33)53(39)40-23-20-30(31-19-22-35-34-16-8-10-18-41(34)54-42(35)26-31)25-37(40)45-51-43(28-11-3-1-4-12-28)50-44(52-45)29-13-5-2-6-14-29;1-29-20-23-35-34-16-8-10-18-39(34)50(41(35)26-29)40-25-22-32(33-21-24-37-36-17-9-11-19-42(36)51-43(37)28-33)27-38(40)46-48-44(30-12-4-2-5-13-30)47-45(49-46)31-14-6-3-7-15-31/h2-27H,1H3;1-27H;2-28H,1H3.
What are the key properties of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole has a molecular weight of 2134.49 g/mol, XLogP of 38.67, 15 rotatable bonds, 0 hydrogen bond donors, and 15 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-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 158566420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).