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

C186H106F12N18S4 — CID 159324327

IUPAC9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.FC(F)(F)c1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4cccc5sc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4cccc5sc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H26F6N4S.C47H26N6S.2C46H27F3N4S/c48-46(49,50)30-19-21-33-34-22-20-31(47(51,52)53)26-39(34)57(38(33)25-30)37-23-18-29(32-15-9-17-41-42(32)35-14-7-8-16-40(35)58-41)24-36(37)45-55-43(27-10-3-1-4-11-27)54-44(56-45)28-12-5-2-6-13-28;1-49-33-21-24-40-37(27-33)36-25-29(28-48)19-22-39(36)53(40)41-23-20-32(34-16-10-18-43-44(34)35-15-8-9-17-42(35)54-43)26-38(41)47-51-45(30-11-4-2-5-12-30)50-46(52-47)31-13-6-3-7-14-31;47-46(48,49)31-23-24-34-33-16-7-9-19-37(33)53(39(34)27-31)38-25-22-30(32-18-11-21-41-42(32)35-17-8-10-20-40(35)54-41)26-36(38)45-51-43(28-12-3-1-4-13-28)50-44(52-45)29-14-5-2-6-15-29;47-46(48,49)31-23-25-38-35(27-31)33-16-7-9-19-37(33)53(38)39-24-22-30(32-18-11-21-41-42(32)34-17-8-10-20-40(34)54-41)26-36(39)45-51-43(28-12-3-1-4-13-28)50-44(52-45)29-14-5-2-6-15-29/h1-26H;2-27H;2*1-27H
InChIKeyLEDXPMAVPBOHFW-UHFFFAOYSA-N
MW2949.26 g/mol
LogP52.52
Rot. Bonds20

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

9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 159324327) has the molecular formula C186H106F12N18S4 and a molecular weight of 2949.26 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
PubChem CID159324327
Molecular FormulaC186H106F12N18S4
Molecular Weight2949.26 g/mol
Exact Mass2946.75
IUPAC Name9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.FC(F)(F)c1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4cccc5sc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4cccc5sc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H26F6N4S.C47H26N6S.2C46H27F3N4S/c48-46(49,50)30-19-21-33-34-22-20-31(47(51,52)53)26-39(34)57(38(33)25-30)37-23-18-29(32-15-9-17-41-42(32)35-14-7-8-16-40(35)58-41)24-36(37)45-55-43(27-10-3-1-4-11-27)54-44(56-45)28-12-5-2-6-13-28;1-49-33-21-24-40-37(27-33)36-25-29(28-48)19-22-39(36)53(40)41-23-20-32(34-16-10-18-43-44(34)35-15-8-9-17-42(35)54-43)26-38(41)47-51-45(30-11-4-2-5-12-30)50-46(52-47)31-13-6-3-7-14-31;47-46(48,49)31-23-24-34-33-16-7-9-19-37(33)53(39(34)27-31)38-25-22-30(32-18-11-21-41-42(32)35-17-8-10-20-40(35)54-41)26-36(38)45-51-43(28-12-3-1-4-13-28)50-44(52-45)29-14-5-2-6-15-29;47-46(48,49)31-23-25-38-35(27-31)33-16-7-9-19-37(33)53(38)39-24-22-30(32-18-11-21-41-42(32)34-17-8-10-20-40(34)54-41)26-36(39)45-51-43(28-12-3-1-4-13-28)50-44(52-45)29-14-5-2-6-15-29/h1-26H;2-27H;2*1-27H
InChIKeyLEDXPMAVPBOHFW-UHFFFAOYSA-N
XLogP52.52
TPSA202.55 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002949.26
LogP ≤ 552.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-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-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole (CID 159324327) is 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.FC(F)(F)c1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4cccc5sc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4cccc5sc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The InChIKey is LEDXPMAVPBOHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26F6N4S.C47H26N6S.2C46H27F3N4S/c48-46(49,50)30-19-21-33-34-22-20-31(47(51,52)53)26-39(34)57(38(33)25-30)37-23-18-29(32-15-9-17-41-42(32)35-14-7-8-16-40(35)58-41)24-36(37)45-55-43(27-10-3-1-4-11-27)54-44(56-45)28-12-5-2-6-13-28;1-49-33-21-24-40-37(27-33)36-25-29(28-48)19-22-39(36)53(40)41-23-20-32(34-16-10-18-43-44(34)35-15-8-9-17-42(35)54-43)26-38(41)47-51-45(30-11-4-2-5-12-30)50-46(52-47)31-13-6-3-7-14-31;47-46(48,49)31-23-24-34-33-16-7-9-19-37(33)53(39(34)27-31)38-25-22-30(32-18-11-21-41-42(32)35-17-8-10-20-40(35)54-41)26-36(38)45-51-43(28-12-3-1-4-13-28)50-44(52-45)29-14-5-2-6-15-29;47-46(48,49)31-23-25-38-35(27-31)33-16-7-9-19-37(33)53(38)39-24-22-30(32-18-11-21-41-42(32)34-17-8-10-20-40(34)54-41)26-36(39)45-51-43(28-12-3-1-4-13-28)50-44(52-45)29-14-5-2-6-15-29/h1-26H;2-27H;2*1-27H.
What are the key properties of 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole has a molecular weight of 2949.26 g/mol, XLogP of 52.52, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 159324327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).