4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile

C319H189F18N35O2S2 — CID 158556508

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C)c(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc([N+]#[C-])cc5C#N)ccc43)c2)c(C#N)c1
InChIInChI=1S/C77H36F3N11.C65H45F6N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-44-28-54(77(78,79)80)12-18-59(44)64-22-16-58(90-72-24-8-48(61-19-13-55(86-2)31-52(61)42-84)33-67(72)68-36-50(11-25-73(68)90)63-21-15-57(88-4)37-71(63)89-5)38-65(64)66-30-46(40-82)7-23-74(66)91-75-26-9-47(60-17-6-45(39-81)29-51(60)41-83)34-69(75)70-35-49(10-27-76(70)91)62-20-14-56(87-3)32-53(62)43-85;1-31-73-32(2)78-60(77-31)40-10-19-55-50(24-40)51-25-41(61-79-33(3)74-34(4)80-61)11-20-56(51)85(55)45-15-17-46(47-16-14-44(64(66,67)68)28-54(47)65(69,70)71)48(29-45)49-23-39(30-72)9-18-57(49)86-58-21-12-42(62-81-35(5)75-36(6)82-62)26-52(58)53-27-43(13-22-59(53)86)63-83-37(7)76-38(8)84-63;1-36-32-38(63(64,65)66)23-25-40(36)41-26-24-39(68-52-20-12-8-16-46(52)57-55(68)30-27-44-42-14-6-10-18-50(42)61(2,3)59(44)57)34-48(41)49-33-37(35-67)22-29-54(49)69-53-21-13-9-17-47(53)58-56(69)31-28-45-43-15-7-11-19-51(43)62(4,5)60(45)58;2*1-32-28-34(57(58,59)60)19-21-36(32)37-22-20-35(62-46-14-6-2-12-42(46)53-49(62)26-23-40-38-10-4-8-16-51(38)64-55(40)53)30-44(37)45-29-33(31-61)18-25-48(45)63-47-15-7-3-13-43(47)54-50(63)27-24-41-39-11-5-9-17-52(39)65-56(41)54/h6-38H,1H3;9-29H,1-8H3;6-34H,1-5H3;2*2-30H,1H3
InChIKeyHQJAPUXPVLFWEK-UHFFFAOYSA-N
MW4950.36 g/mol
LogP86.16
Rot. Bonds28

About 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile

4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile (PubChem CID 158556508) has the molecular formula C319H189F18N35O2S2 and a molecular weight of 4950.36 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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
PubChem CID158556508
Molecular FormulaC319H189F18N35O2S2
Molecular Weight4950.36 g/mol
Exact Mass4946.49
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C)c(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc([N+]#[C-])cc5C#N)ccc43)c2)c(C#N)c1
InChIInChI=1S/C77H36F3N11.C65H45F6N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-44-28-54(77(78,79)80)12-18-59(44)64-22-16-58(90-72-24-8-48(61-19-13-55(86-2)31-52(61)42-84)33-67(72)68-36-50(11-25-73(68)90)63-21-15-57(88-4)37-71(63)89-5)38-65(64)66-30-46(40-82)7-23-74(66)91-75-26-9-47(60-17-6-45(39-81)29-51(60)41-83)34-69(75)70-35-49(10-27-76(70)91)62-20-14-56(87-3)32-53(62)43-85;1-31-73-32(2)78-60(77-31)40-10-19-55-50(24-40)51-25-41(61-79-33(3)74-34(4)80-61)11-20-56(51)85(55)45-15-17-46(47-16-14-44(64(66,67)68)28-54(47)65(69,70)71)48(29-45)49-23-39(30-72)9-18-57(49)86-58-21-12-42(62-81-35(5)75-36(6)82-62)26-52(58)53-27-43(13-22-59(53)86)63-83-37(7)76-38(8)84-63;1-36-32-38(63(64,65)66)23-25-40(36)41-26-24-39(68-52-20-12-8-16-46(52)57-55(68)30-27-44-42-14-6-10-18-50(42)61(2,3)59(44)57)34-48(41)49-33-37(35-67)22-29-54(49)69-53-21-13-9-17-47(53)58-56(69)31-28-45-43-15-7-11-19-51(43)62(4,5)60(45)58;2*1-32-28-34(57(58,59)60)19-21-36(32)37-22-20-35(62-46-14-6-2-12-42(46)53-49(62)26-23-40-38-10-4-8-16-51(38)64-55(40)53)30-44(37)45-29-33(31-61)18-25-48(45)63-47-15-7-3-13-43(47)54-50(63)27-24-41-39-11-5-9-17-52(39)65-56(41)54/h6-38H,1H3;9-29H,1-8H3;6-34H,1-5H3;2*2-30H,1H3
InChIKeyHQJAPUXPVLFWEK-UHFFFAOYSA-N
XLogP86.16
TPSA461.81 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms376
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004950.36
LogP ≤ 586.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]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
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
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11-phenylindolo[3,2-b]carbazole
CID 155160153
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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile (CID 158556508) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile is Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C)c(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc([N+]#[C-])cc5C#N)ccc43)c2)c(C#N)c1.
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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The InChIKey is HQJAPUXPVLFWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H36F3N11.C65H45F6N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-44-28-54(77(78,79)80)12-18-59(44)64-22-16-58(90-72-24-8-48(61-19-13-55(86-2)31-52(61)42-84)33-67(72)68-36-50(11-25-73(68)90)63-21-15-57(88-4)37-71(63)89-5)38-65(64)66-30-46(40-82)7-23-74(66)91-75-26-9-47(60-17-6-45(39-81)29-51(60)41-83)34-69(75)70-35-49(10-27-76(70)91)62-20-14-56(87-3)32-53(62)43-85;1-31-73-32(2)78-60(77-31)40-10-19-55-50(24-40)51-25-41(61-79-33(3)74-34(4)80-61)11-20-56(51)85(55)45-15-17-46(47-16-14-44(64(66,67)68)28-54(47)65(69,70)71)48(29-45)49-23-39(30-72)9-18-57(49)86-58-21-12-42(62-81-35(5)75-36(6)82-62)26-52(58)53-27-43(13-22-59(53)86)63-83-37(7)76-38(8)84-63;1-36-32-38(63(64,65)66)23-25-40(36)41-26-24-39(68-52-20-12-8-16-46(52)57-55(68)30-27-44-42-14-6-10-18-50(42)61(2,3)59(44)57)34-48(41)49-33-37(35-67)22-29-54(49)69-53-21-13-9-17-47(53)58-56(69)31-28-45-43-15-7-11-19-51(43)62(4,5)60(45)58;2*1-32-28-34(57(58,59)60)19-21-36(32)37-22-20-35(62-46-14-6-2-12-42(46)53-49(62)26-23-40-38-10-4-8-16-51(38)64-55(40)53)30-44(37)45-29-33(31-61)18-25-48(45)63-47-15-7-3-13-43(47)54-50(63)27-24-41-39-11-5-9-17-52(39)65-56(41)54/h6-38H,1H3;9-29H,1-8H3;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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile?
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile has a molecular weight of 4950.36 g/mol, XLogP of 86.16, 28 rotatable bonds, 0 hydrogen bond donors, and 35 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-4-(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-4-(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-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 158556508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).