5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole

C346H218F15N39O2S2 — CID 160986662

IUPAC5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C(F)(F)F)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C76H46F3N7.C72H52F3N17.C70H48F3N5.C64H36F3N5O2.C64H36F3N5S2/c77-76(78,79)49-37-40-68(86-67-36-20-16-32-56(67)63-44-61-54-30-14-18-34-65(54)84(70(61)46-72(63)86)51-27-11-4-12-28-51)59(41-49)58-42-52(38-39-57(58)75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)85-66-35-19-15-31-55(66)62-43-60-53-29-13-17-33-64(53)83(69(60)45-71(62)85)50-25-9-3-10-26-50;1-37-76-38(2)81-67(80-37)47-19-26-60-55(31-47)56-32-48(68-82-39(3)77-40(4)83-68)20-27-61(56)91(60)52-24-25-53(71-89-65(45-15-11-9-12-16-45)88-66(90-71)46-17-13-10-14-18-46)54(36-52)59-35-51(72(73,74)75)23-30-64(59)92-62-28-21-49(69-84-41(5)78-42(6)85-69)33-57(62)58-34-50(22-29-63(58)92)70-86-43(7)79-44(8)87-70;1-68(2)54-27-15-11-23-45(54)47-34-37-59-61(63(47)68)50-25-13-17-29-56(50)77(59)44-32-33-49(67-75-65(41-19-7-5-8-20-41)74-66(76-67)42-21-9-6-10-22-42)52(40-44)53-39-43(70(71,72)73)31-36-58(53)78-57-30-18-14-26-51(57)62-60(78)38-35-48-46-24-12-16-28-55(46)69(3,4)64(48)62;2*65-64(66,67)39-27-32-52(72-51-24-12-8-22-47(51)58-54(72)34-31-44-42-20-10-14-26-56(42)74-60(44)58)49(35-39)48-36-40(28-29-45(48)63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)71-50-23-11-7-21-46(50)57-53(71)33-30-43-41-19-9-13-25-55(41)73-59(43)57/h1-46H;9-36H,1-8H3;5-40H,1-4H3;2*1-36H
InChIKeyTUBKYEVWHVXTFR-UHFFFAOYSA-N
MW5302.93 g/mol
LogP89.98
Rot. Bonds36

About 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole

5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 160986662) has the molecular formula C346H218F15N39O2S2 and a molecular weight of 5302.93 g/mol. Its IUPAC name is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID160986662
Molecular FormulaC346H218F15N39O2S2
Molecular Weight5302.93 g/mol
Exact Mass5298.74
IUPAC Name5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C(F)(F)F)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C76H46F3N7.C72H52F3N17.C70H48F3N5.C64H36F3N5O2.C64H36F3N5S2/c77-76(78,79)49-37-40-68(86-67-36-20-16-32-56(67)63-44-61-54-30-14-18-34-65(54)84(70(61)46-72(63)86)51-27-11-4-12-28-51)59(41-49)58-42-52(38-39-57(58)75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)85-66-35-19-15-31-55(66)62-43-60-53-29-13-17-33-64(53)83(69(60)45-71(62)85)50-25-9-3-10-26-50;1-37-76-38(2)81-67(80-37)47-19-26-60-55(31-47)56-32-48(68-82-39(3)77-40(4)83-68)20-27-61(56)91(60)52-24-25-53(71-89-65(45-15-11-9-12-16-45)88-66(90-71)46-17-13-10-14-18-46)54(36-52)59-35-51(72(73,74)75)23-30-64(59)92-62-28-21-49(69-84-41(5)78-42(6)85-69)33-57(62)58-34-50(22-29-63(58)92)70-86-43(7)79-44(8)87-70;1-68(2)54-27-15-11-23-45(54)47-34-37-59-61(63(47)68)50-25-13-17-29-56(50)77(59)44-32-33-49(67-75-65(41-19-7-5-8-20-41)74-66(76-67)42-21-9-6-10-22-42)52(40-44)53-39-43(70(71,72)73)31-36-58(53)78-57-30-18-14-26-51(57)62-60(78)38-35-48-46-24-12-16-28-55(46)69(3,4)64(48)62;2*65-64(66,67)39-27-32-52(72-51-24-12-8-22-47(51)58-54(72)34-31-44-42-20-10-14-26-56(42)74-60(44)58)49(35-39)48-36-40(28-29-45(48)63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)71-50-23-11-7-21-46(50)57-53(71)33-30-43-41-19-9-13-25-55(41)73-59(43)57/h1-46H;9-36H,1-8H3;5-40H,1-4H3;2*1-36H
InChIKeyTUBKYEVWHVXTFR-UHFFFAOYSA-N
XLogP89.98
TPSA433.47 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds36
Heavy Atoms404
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005302.93
LogP ≤ 589.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]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-[2,6-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)-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
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159487
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159514
7-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159515
18-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155160003
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155160004
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160012
5-Dibenzothiophen-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160013
27-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160014
18-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-27-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160018

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 160986662) is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C(F)(F)F)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is TUBKYEVWHVXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46F3N7.C72H52F3N17.C70H48F3N5.C64H36F3N5O2.C64H36F3N5S2/c77-76(78,79)49-37-40-68(86-67-36-20-16-32-56(67)63-44-61-54-30-14-18-34-65(54)84(70(61)46-72(63)86)51-27-11-4-12-28-51)59(41-49)58-42-52(38-39-57(58)75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)85-66-35-19-15-31-55(66)62-43-60-53-29-13-17-33-64(53)83(69(60)45-71(62)85)50-25-9-3-10-26-50;1-37-76-38(2)81-67(80-37)47-19-26-60-55(31-47)56-32-48(68-82-39(3)77-40(4)83-68)20-27-61(56)91(60)52-24-25-53(71-89-65(45-15-11-9-12-16-45)88-66(90-71)46-17-13-10-14-18-46)54(36-52)59-35-51(72(73,74)75)23-30-64(59)92-62-28-21-49(69-84-41(5)78-42(6)85-69)33-57(62)58-34-50(22-29-63(58)92)70-86-43(7)79-44(8)87-70;1-68(2)54-27-15-11-23-45(54)47-34-37-59-61(63(47)68)50-25-13-17-29-56(50)77(59)44-32-33-49(67-75-65(41-19-7-5-8-20-41)74-66(76-67)42-21-9-6-10-22-42)52(40-44)53-39-43(70(71,72)73)31-36-58(53)78-57-30-18-14-26-51(57)62-60(78)38-35-48-46-24-12-16-28-55(46)69(3,4)64(48)62;2*65-64(66,67)39-27-32-52(72-51-24-12-8-22-47(51)58-54(72)34-31-44-42-20-10-14-26-56(42)74-60(44)58)49(35-39)48-36-40(28-29-45(48)63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)71-50-23-11-7-21-46(50)57-53(71)33-30-43-41-19-9-13-25-55(41)73-59(43)57/h1-46H;9-36H,1-8H3;5-40H,1-4H3;2*1-36H.
What are the key properties of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 5302.93 g/mol, XLogP of 89.98, 36 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(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;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 160986662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).