5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole

C292H180F12N24S2 — CID 160553841

About 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole

5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 160553841) has the molecular formula C292H180F12N24S2 and a molecular weight of 4316.93 g/mol. Its IUPAC name is 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 160553841
• Molecular Formula: C292H180F12N24S2
• Molecular Weight: 4316.93 g/mol
• Exact Mass: 4313.41
• IUPAC Name: 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cccc1C(F)(F)F.FC(F)(F)c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.FC(F)(F)c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.FC(F)(F)c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C82H50F3N7.C76H46F3N7.C70H48F3N5.C64H36F3N5S2/c83-82(84,85)66-36-22-42-72(92-70-40-20-16-34-61(70)65-48-63-59-32-14-18-38-68(59)90(74(63)50-76(65)92)56-29-11-4-12-30-56)78(66)77-57(51-43-45-54(46-44-51)81-87-79(52-23-5-1-6-24-52)86-80(88-81)53-25-7-2-8-26-53)35-21-41-71(77)91-69-39-19-15-33-60(69)64-47-62-58-31-13-17-37-67(58)89(73(62)49-75(64)91)55-27-9-3-10-28-55;77-76(78,79)58-36-22-42-64(86-62-40-20-16-34-56(62)69-66(86)46-44-54-52-32-14-18-38-60(52)84(72(54)69)50-29-11-4-12-30-50)70(58)67-57(75-81-73(47-23-5-1-6-24-47)80-74(82-75)48-25-7-2-8-26-48)35-21-41-63(67)85-61-39-19-15-33-55(61)68-65(85)45-43-53-51-31-13-17-37-59(51)83(71(53)68)49-27-9-3-10-28-49;1-68(2)50-30-15-11-25-43(50)45-37-39-57-60(63(45)68)47-27-13-17-33-53(47)77(57)55-35-19-29-49(67-75-65(41-21-7-5-8-22-41)74-66(76-67)42-23-9-6-10-24-42)59(55)62-52(70(71,72)73)32-20-36-56(62)78-54-34-18-14-28-48(54)61-58(78)40-38-46-44-26-12-16-31-51(44)69(3,4)64(46)61;65-64(66,67)46-26-16-30-50(72-48-28-12-8-24-44(48)57-52(72)36-34-42-40-22-10-14-32-54(40)74-60(42)57)58(46)55-45(63-69-61(37-17-3-1-4-18-37)68-62(70-63)38-19-5-2-6-20-38)25-15-29-49(55)71-47-27-11-7-23-43(47)56-51(71)35-33-41-39-21-9-13-31-53(39)73-59(41)56/h1-50H;1-46H;5-40H,1-4H3;1-36H
• InChIKey: QYKPBGPEUBMUCK-UHFFFAOYSA-N
• XLogP: 78.41
• TPSA: 213.84 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 330
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4316.93
LogP ≤ 5	78.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 160553841) is 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cccc1C(F)(F)F.FC(F)(F)c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.FC(F)(F)c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.FC(F)(F)c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?

The InChIKey is QYKPBGPEUBMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7.C76H46F3N7.C70H48F3N5.C64H36F3N5S2/c83-82(84,85)66-36-22-42-72(92-70-40-20-16-34-61(70)65-48-63-59-32-14-18-38-68(59)90(74(63)50-76(65)92)56-29-11-4-12-30-56)78(66)77-57(51-43-45-54(46-44-51)81-87-79(52-23-5-1-6-24-52)86-80(88-81)53-25-7-2-8-26-53)35-21-41-71(77)91-69-39-19-15-33-60(69)64-47-62-58-31-13-17-37-67(58)89(73(62)49-75(64)91)55-27-9-3-10-28-55;77-76(78,79)58-36-22-42-64(86-62-40-20-16-34-56(62)69-66(86)46-44-54-52-32-14-18-38-60(52)84(72(54)69)50-29-11-4-12-30-50)70(58)67-57(75-81-73(47-23-5-1-6-24-47)80-74(82-75)48-25-7-2-8-26-48)35-21-41-63(67)85-61-39-19-15-33-55(61)68-65(85)45-43-53-51-31-13-17-37-59(51)83(71(53)68)49-27-9-3-10-28-49;1-68(2)50-30-15-11-25-43(50)45-37-39-57-60(63(45)68)47-27-13-17-33-53(47)77(57)55-35-19-29-49(67-75-65(41-21-7-5-8-22-41)74-66(76-67)42-23-9-6-10-24-42)59(55)62-52(70(71,72)73)32-20-36-56(62)78-54-34-18-14-28-48(54)61-58(78)40-38-46-44-26-12-16-31-51(44)69(3,4)64(46)61;65-64(66,67)46-26-16-30-50(72-48-28-12-8-24-44(48)57-52(72)36-34-42-40-22-10-14-32-54(40)74-60(42)57)58(46)55-45(63-69-61(37-17-3-1-4-18-37)68-62(70-63)38-19-5-2-6-20-38)25-15-29-49(55)71-47-27-11-7-23-43(47)56-51(71)35-33-41-39-21-9-13-31-53(39)73-59(41)56/h1-50H;1-46H;5-40H,1-4H3;1-36H.

What are the key properties of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?

5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 4316.93 g/mol, XLogP of 78.41, 29 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 160553841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).