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

C311H198F15N29O2S2 — CID 157256819

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESCc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3c(C)cccc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1
InChIInChI=1S/C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-17-16-26-58(69(70,71)72)68(42)51-33-32-46(76-61-29-14-10-24-49(61)56-37-54-47-22-8-12-27-59(47)74(64(54)39-66(56)76)44-18-4-2-5-19-44)36-52(51)53-35-43(41-73)31-34-63(53)77-62-30-15-11-25-50(62)57-38-55-48-23-9-13-28-60(48)75(65(55)40-67(57)77)45-20-6-3-7-21-45;1-32-11-10-12-54(65(66,67)68)60(32)47-19-18-46(82-55-21-14-42(61-74-33(2)70-34(3)75-61)26-50(55)51-27-43(15-22-56(51)82)62-76-35(4)71-36(5)77-62)30-48(47)49-25-41(31-69)13-20-57(49)83-58-23-16-44(63-78-37(6)72-38(7)79-63)28-52(58)53-29-45(17-24-59(53)83)64-80-39(8)73-40(9)81-64;1-36-15-14-22-50(63(64,65)66)56(36)41-27-26-38(68-51-23-12-8-18-44(51)57-54(68)31-28-42-39-16-6-10-20-48(39)61(2,3)59(42)57)34-46(41)47-33-37(35-67)25-30-53(47)69-52-24-13-9-19-45(52)58-55(69)32-29-43-40-17-7-11-21-49(40)62(4,5)60(43)58;2*1-32-11-10-16-44(57(58,59)60)52(32)37-23-22-34(62-45-17-6-2-14-40(45)53-48(62)27-24-38-35-12-4-8-19-50(35)64-55(38)53)30-42(37)43-29-33(31-61)21-26-47(43)63-46-18-7-3-15-41(46)54-49(63)28-25-39-36-13-5-9-20-51(36)65-56(39)54/h2-40H,1H3;10-30H,1-9H3;6-34H,1-5H3;2*2-30H,1H3
InChIKeyAWZHEQGHXVQJJE-UHFFFAOYSA-N
MW4722.31 g/mol
LogP83.29
Rot. Bonds26

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

4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (PubChem CID 157256819) has the molecular formula C311H198F15N29O2S2 and a molecular weight of 4722.31 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
PubChem CID157256819
Molecular FormulaC311H198F15N29O2S2
Molecular Weight4722.31 g/mol
Exact Mass4718.55
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
SMILESCc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3c(C)cccc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1
InChIInChI=1S/C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-17-16-26-58(69(70,71)72)68(42)51-33-32-46(76-61-29-14-10-24-49(61)56-37-54-47-22-8-12-27-59(47)74(64(54)39-66(56)76)44-18-4-2-5-19-44)36-52(51)53-35-43(41-73)31-34-63(53)77-62-30-15-11-25-50(62)57-38-55-48-23-9-13-28-60(48)75(65(55)40-67(57)77)45-20-6-3-7-21-45;1-32-11-10-12-54(65(66,67)68)60(32)47-19-18-46(82-55-21-14-42(61-74-33(2)70-34(3)75-61)26-50(55)51-27-43(15-22-56(51)82)62-76-35(4)71-36(5)77-62)30-48(47)49-25-41(31-69)13-20-57(49)83-58-23-16-44(63-78-37(6)72-38(7)79-63)28-52(58)53-29-45(17-24-59(53)83)64-80-39(8)73-40(9)81-64;1-36-15-14-22-50(63(64,65)66)56(36)41-27-26-38(68-51-23-12-8-18-44(51)57-54(68)31-28-42-39-16-6-10-20-48(39)61(2,3)59(42)57)34-46(41)47-33-37(35-67)25-30-53(47)69-52-24-13-9-19-45(52)58-55(69)32-29-43-40-17-7-11-21-49(40)62(4,5)60(43)58;2*1-32-11-10-16-44(57(58,59)60)52(32)37-23-22-34(62-45-17-6-2-14-40(45)53-48(62)27-24-38-35-12-4-8-19-50(35)64-55(38)53)30-42(37)43-29-33(31-61)21-26-47(43)63-46-18-7-3-15-41(46)54-49(63)28-25-39-36-13-5-9-20-51(36)65-56(39)54/h2-40H,1H3;10-30H,1-9H3;6-34H,1-5H3;2*2-30H,1H3
InChIKeyAWZHEQGHXVQJJE-UHFFFAOYSA-N
XLogP83.29
TPSA359.07 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms359
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004722.31
LogP ≤ 583.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile 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)-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-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159514
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
6-Dibenzothiophen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-5-phenylindolo[3,2-c]carbazole
CID 155160157
6-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 155160162

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile (CID 157256819) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The canonical SMILES for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3c(C)cccc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.
What is the InChIKey of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
The InChIKey is AWZHEQGHXVQJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-17-16-26-58(69(70,71)72)68(42)51-33-32-46(76-61-29-14-10-24-49(61)56-37-54-47-22-8-12-27-59(47)74(64(54)39-66(56)76)44-18-4-2-5-19-44)36-52(51)53-35-43(41-73)31-34-63(53)77-62-30-15-11-25-50(62)57-38-55-48-23-9-13-28-60(48)75(65(55)40-67(57)77)45-20-6-3-7-21-45;1-32-11-10-12-54(65(66,67)68)60(32)47-19-18-46(82-55-21-14-42(61-74-33(2)70-34(3)75-61)26-50(55)51-27-43(15-22-56(51)82)62-76-35(4)71-36(5)77-62)30-48(47)49-25-41(31-69)13-20-57(49)83-58-23-16-44(63-78-37(6)72-38(7)79-63)28-52(58)53-29-45(17-24-59(53)83)64-80-39(8)73-40(9)81-64;1-36-15-14-22-50(63(64,65)66)56(36)41-27-26-38(68-51-23-12-8-18-44(51)57-54(68)31-28-42-39-16-6-10-20-48(39)61(2,3)59(42)57)34-46(41)47-33-37(35-67)25-30-53(47)69-52-24-13-9-19-45(52)58-55(69)32-29-43-40-17-7-11-21-49(40)62(4,5)60(43)58;2*1-32-11-10-16-44(57(58,59)60)52(32)37-23-22-34(62-45-17-6-2-14-40(45)53-48(62)27-24-38-35-12-4-8-19-50(35)64-55(38)53)30-42(37)43-29-33(31-61)21-26-47(43)63-46-18-7-3-15-41(46)54-49(63)28-25-39-36-13-5-9-20-51(36)65-56(39)54/h2-40H,1H3;10-30H,1-9H3;6-34H,1-5H3;2*2-30H,1H3.
What are the key properties of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile?
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile has a molecular weight of 4722.31 g/mol, XLogP of 83.29, 26 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 157256819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).