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

C210H130F9N17S2 — CID 161397007

IUPAC5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
InChIInChI=1S/C76H46F3N7.C70H48F3N5.C64H36F3N5S2/c77-76(78,79)50-38-40-56(68(46-50)86-64-36-20-16-32-60(64)70-66(86)44-42-58-54-30-14-18-34-62(54)84(72(58)70)52-27-11-4-12-28-52)55-39-37-49(75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)45-67(55)85-63-35-19-15-31-59(63)69-65(85)43-41-57-53-29-13-17-33-61(53)83(71(57)69)51-25-9-3-10-26-51;1-68(2)53-27-15-11-23-45(53)49-35-37-57-61(63(49)68)51-25-13-17-29-55(51)77(57)59-39-43(67-75-65(41-19-7-5-8-20-41)74-66(76-67)42-21-9-6-10-22-42)31-33-47(59)48-34-32-44(70(71,72)73)40-60(48)78-56-30-18-14-26-52(56)62-58(78)38-36-50-46-24-12-16-28-54(46)69(3,4)64(50)62;65-64(66,67)40-28-30-42(54(36-40)72-50-24-12-8-22-48(50)58-52(72)34-32-46-44-20-10-14-26-56(44)74-60(46)58)41-29-27-39(63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)35-53(41)71-49-23-11-7-21-47(49)57-51(71)33-31-45-43-19-9-13-25-55(43)73-59(45)57/h1-46H;5-40H,1-4H3;1-36H
InChIKeyVTSQWVITZIPATL-UHFFFAOYSA-N
MW3126.58 g/mol
LogP56.80
Rot. Bonds20

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

5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 161397007) has the molecular formula C210H130F9N17S2 and a molecular weight of 3126.58 g/mol. Its IUPAC name is 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID161397007
Molecular FormulaC210H130F9N17S2
Molecular Weight3126.58 g/mol
Exact Mass3124.00
IUPAC Name5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
InChIInChI=1S/C76H46F3N7.C70H48F3N5.C64H36F3N5S2/c77-76(78,79)50-38-40-56(68(46-50)86-64-36-20-16-32-60(64)70-66(86)44-42-58-54-30-14-18-34-62(54)84(72(58)70)52-27-11-4-12-28-52)55-39-37-49(75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)45-67(55)85-63-35-19-15-31-59(63)69-65(85)43-41-57-53-29-13-17-33-61(53)83(71(57)69)51-25-9-3-10-26-51;1-68(2)53-27-15-11-23-45(53)49-35-37-57-61(63(49)68)51-25-13-17-29-55(51)77(57)59-39-43(67-75-65(41-19-7-5-8-20-41)74-66(76-67)42-21-9-6-10-22-42)31-33-47(59)48-34-32-44(70(71,72)73)40-60(48)78-56-30-18-14-26-52(56)62-58(78)38-36-50-46-24-12-16-28-54(46)69(3,4)64(50)62;65-64(66,67)40-28-30-42(54(36-40)72-50-24-12-8-22-48(50)58-52(72)34-32-46-44-20-10-14-26-56(44)74-60(46)58)41-29-27-39(63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)35-53(41)71-49-23-11-7-21-47(49)57-51(71)33-31-45-43-19-9-13-25-55(43)73-59(45)57/h1-46H;5-40H,1-4H3;1-36H
InChIKeyVTSQWVITZIPATL-UHFFFAOYSA-N
XLogP56.80
TPSA155.45 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003126.58
LogP ≤ 556.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 161397007) is 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.
What is the InChIKey of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is VTSQWVITZIPATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46F3N7.C70H48F3N5.C64H36F3N5S2/c77-76(78,79)50-38-40-56(68(46-50)86-64-36-20-16-32-60(64)70-66(86)44-42-58-54-30-14-18-34-62(54)84(72(58)70)52-27-11-4-12-28-52)55-39-37-49(75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)45-67(55)85-63-35-19-15-31-59(63)69-65(85)43-41-57-53-29-13-17-33-61(53)83(71(57)69)51-25-9-3-10-26-51;1-68(2)53-27-15-11-23-45(53)49-35-37-57-61(63(49)68)51-25-13-17-29-55(51)77(57)59-39-43(67-75-65(41-19-7-5-8-20-41)74-66(76-67)42-21-9-6-10-22-42)31-33-47(59)48-34-32-44(70(71,72)73)40-60(48)78-56-30-18-14-26-52(56)62-58(78)38-36-50-46-24-12-16-28-54(46)69(3,4)64(50)62;65-64(66,67)40-28-30-42(54(36-40)72-50-24-12-8-22-48(50)58-52(72)34-32-46-44-20-10-14-26-56(44)74-60(46)58)41-29-27-39(63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)35-53(41)71-49-23-11-7-21-47(49)57-51(71)33-31-45-43-19-9-13-25-55(43)73-59(45)57/h1-46H;5-40H,1-4H3;1-36H.
What are the key properties of 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 3126.58 g/mol, XLogP of 56.80, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 161397007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).