5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole

C262H166F12N38O2S2 — CID 162266131

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C(F)(F)F)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
InChIInChI=1S/C72H52F3N17.C64H36F3N5O2.C64H36F3N5S2.C62H42F3N11/c1-37-76-38(2)81-67(80-37)47-20-26-59-54(31-47)55-32-48(68-82-39(3)77-40(4)83-68)21-27-60(55)91(59)63-30-24-52(72(73,74)75)36-58(63)53-25-19-51(71-89-65(45-15-11-9-12-16-45)88-66(90-71)46-17-13-10-14-18-46)35-64(53)92-61-28-22-49(69-84-41(5)78-42(6)85-69)33-56(61)57-34-50(23-29-62(57)92)70-86-43(7)79-44(8)87-70;2*65-64(66,67)40-28-32-51(71-49-23-11-7-21-46(49)57-52(71)33-30-44-42-19-9-13-25-55(42)73-59(44)57)48(36-40)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)35-54(41)72-50-24-12-8-22-47(50)58-53(72)34-31-45-43-20-10-14-26-56(43)74-60(45)58;1-35-66-36(2)69-59(68-35)41-24-28-53-48(31-41)45-19-11-13-21-51(45)75(53)55-30-26-44(62(63,64)65)34-50(55)47-27-23-43(61-73-57(39-15-7-5-8-16-39)72-58(74-61)40-17-9-6-10-18-40)33-56(47)76-52-22-14-12-20-46(52)49-32-42(25-29-54(49)76)60-70-37(3)67-38(4)71-60/h9-36H,1-8H3;2*1-36H;5-34H,1-4H3
InChIKeyZZXSXWSOWJVPIX-UHFFFAOYSA-N
MW4170.58 g/mol
LogP66.36
Rot. Bonds30

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 162266131) has the molecular formula C262H166F12N38O2S2 and a molecular weight of 4170.58 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID162266131
Molecular FormulaC262H166F12N38O2S2
Molecular Weight4170.58 g/mol
Exact Mass4167.33
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C(F)(F)F)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
InChIInChI=1S/C72H52F3N17.C64H36F3N5O2.C64H36F3N5S2.C62H42F3N11/c1-37-76-38(2)81-67(80-37)47-20-26-59-54(31-47)55-32-48(68-82-39(3)77-40(4)83-68)21-27-60(55)91(59)63-30-24-52(72(73,74)75)36-58(63)53-25-19-51(71-89-65(45-15-11-9-12-16-45)88-66(90-71)46-17-13-10-14-18-46)35-64(53)92-61-28-22-49(69-84-41(5)78-42(6)85-69)33-56(61)57-34-50(23-29-62(57)92)70-86-43(7)79-44(8)87-70;2*65-64(66,67)40-28-32-51(71-49-23-11-7-21-46(49)57-52(71)33-30-44-42-19-9-13-25-55(42)73-59(44)57)48(36-40)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)35-54(41)72-50-24-12-8-22-47(50)58-53(72)34-31-45-43-20-10-14-26-56(43)74-60(45)58;1-35-66-36(2)69-59(68-35)41-24-28-53-48(31-41)45-19-11-13-21-51(45)75(53)55-30-26-44(62(63,64)65)34-50(55)47-27-23-43(61-73-57(39-15-7-5-8-16-39)72-58(74-61)40-17-9-6-10-18-40)33-56(47)76-52-22-14-12-20-46(52)49-32-42(25-29-54(49)76)60-70-37(3)67-38(4)71-60/h9-36H,1-8H3;2*1-36H;5-34H,1-4H3
InChIKeyZZXSXWSOWJVPIX-UHFFFAOYSA-N
XLogP66.36
TPSA452.42 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004170.58
LogP ≤ 566.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499324
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
2-[2-[3-[4-[[5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-6-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-10-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]-3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499628
3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499751
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554670
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554681
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139298127
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 141655192
9-[3-[(E)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-1-enyl]-2-(fluoromethyl)-[1]benzothiolo[6,5-b][1]benzofuran-7-yl]carbazole
CID 146664308
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (CID 162266131) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C(F)(F)F)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is ZZXSXWSOWJVPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52F3N17.C64H36F3N5O2.C64H36F3N5S2.C62H42F3N11/c1-37-76-38(2)81-67(80-37)47-20-26-59-54(31-47)55-32-48(68-82-39(3)77-40(4)83-68)21-27-60(55)91(59)63-30-24-52(72(73,74)75)36-58(63)53-25-19-51(71-89-65(45-15-11-9-12-16-45)88-66(90-71)46-17-13-10-14-18-46)35-64(53)92-61-28-22-49(69-84-41(5)78-42(6)85-69)33-56(61)57-34-50(23-29-62(57)92)70-86-43(7)79-44(8)87-70;2*65-64(66,67)40-28-32-51(71-49-23-11-7-21-46(49)57-52(71)33-30-44-42-19-9-13-25-55(42)73-59(44)57)48(36-40)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)35-54(41)72-50-24-12-8-22-47(50)58-53(72)34-31-45-43-20-10-14-26-56(43)74-60(45)58;1-35-66-36(2)69-59(68-35)41-24-28-53-48(31-41)45-19-11-13-21-51(45)75(53)55-30-26-44(62(63,64)65)34-50(55)47-27-23-43(61-73-57(39-15-7-5-8-16-39)72-58(74-61)40-17-9-6-10-18-40)33-56(47)76-52-22-14-12-20-46(52)49-32-42(25-29-54(49)76)60-70-37(3)67-38(4)71-60/h9-36H,1-8H3;2*1-36H;5-34H,1-4H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 4170.58 g/mol, XLogP of 66.36, 30 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[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]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 162266131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).