3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile

C362H200F18N30O2S2 — CID 159529951

IUPAC3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(C#N)c1-c1c(-c2ccc(C(F)(F)F)cc2C#N)cccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1c(C#N)cccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1c(C#N)cccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2[N+]#[C-])c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1c(-c2ccc(C(F)(F)F)cc2C#N)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/2C69H39F3N6.C63H41F3N4.C57H29F3N4O2.C57H29F3N4S2.C47H23F3N6/c1-73-53-28-18-34-60(78-58-32-16-12-26-52(58)65-62(78)40-38-50-47-24-10-14-30-56(47)76(68(50)65)44-21-7-4-8-22-44)66(53)63-48(45-36-35-42(69(70,71)72)41-54(45)74-2)27-17-33-59(63)77-57-31-15-11-25-51(57)64-61(77)39-37-49-46-23-9-13-29-55(46)75(67(49)64)43-19-5-3-6-20-43;1-74-56-27-17-33-62(78-60-31-15-11-25-50(60)55-38-53-48-23-9-13-29-58(48)76(64(53)40-66(55)78)45-20-6-3-7-21-45)68(56)67-51(46-35-34-43(69(70,71)72)36-42(46)41-73)26-16-32-61(67)77-59-30-14-10-24-49(59)54-37-52-47-22-8-12-28-57(47)75(63(52)39-65(54)77)44-18-4-2-5-19-44;1-61(2)47-21-9-5-16-40(47)43-29-31-53-57(59(43)61)45-18-7-11-23-49(45)69(53)51-25-13-15-36(34-67)55(51)56-42(39-28-27-38(63(64,65)66)33-37(39)35-68)20-14-26-52(56)70-50-24-12-8-19-46(50)58-54(70)32-30-44-41-17-6-10-22-48(41)62(3,4)60(44)58;2*58-57(59,60)34-23-24-35(33(29-34)31-62)38-16-10-20-46(64-44-18-6-2-15-42(44)54-48(64)28-26-40-37-13-4-8-22-50(37)66-56(40)54)52(38)51-32(30-61)11-9-19-45(51)63-43-17-5-1-14-41(43)53-47(63)27-25-39-36-12-3-7-21-49(36)65-55(39)53;1-53-31-14-20-44-40(24-31)36-8-3-5-9-42(36)55(44)32-15-17-33(34-16-13-30(47(48,49)50)23-41(34)54-2)37(25-32)39-22-29(27-52)12-19-46(39)56-43-10-6-4-7-35(43)38-21-28(26-51)11-18-45(38)56/h3-41H;2-40H;5-33H,1-4H3;2*1-29H;3-25H
InChIKeyMCWFCHRMUYEBHJ-UHFFFAOYSA-N
MW5407.89 g/mol
LogP100.54
Rot. Bonds28

About 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile

3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile (PubChem CID 159529951) has the molecular formula C362H200F18N30O2S2 and a molecular weight of 5407.89 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile
PubChem CID159529951
Molecular FormulaC362H200F18N30O2S2
Molecular Weight5407.89 g/mol
Exact Mass5403.56
IUPAC Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(C#N)c1-c1c(-c2ccc(C(F)(F)F)cc2C#N)cccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1c(C#N)cccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1c(C#N)cccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2[N+]#[C-])c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1c(-c2ccc(C(F)(F)F)cc2C#N)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/2C69H39F3N6.C63H41F3N4.C57H29F3N4O2.C57H29F3N4S2.C47H23F3N6/c1-73-53-28-18-34-60(78-58-32-16-12-26-52(58)65-62(78)40-38-50-47-24-10-14-30-56(47)76(68(50)65)44-21-7-4-8-22-44)66(53)63-48(45-36-35-42(69(70,71)72)41-54(45)74-2)27-17-33-59(63)77-57-31-15-11-25-51(57)64-61(77)39-37-49-46-23-9-13-29-55(46)75(67(49)64)43-19-5-3-6-20-43;1-74-56-27-17-33-62(78-60-31-15-11-25-50(60)55-38-53-48-23-9-13-29-58(48)76(64(53)40-66(55)78)45-20-6-3-7-21-45)68(56)67-51(46-35-34-43(69(70,71)72)36-42(46)41-73)26-16-32-61(67)77-59-30-14-10-24-49(59)54-37-52-47-22-8-12-28-57(47)75(63(52)39-65(54)77)44-18-4-2-5-19-44;1-61(2)47-21-9-5-16-40(47)43-29-31-53-57(59(43)61)45-18-7-11-23-49(45)69(53)51-25-13-15-36(34-67)55(51)56-42(39-28-27-38(63(64,65)66)33-37(39)35-68)20-14-26-52(56)70-50-24-12-8-19-46(50)58-54(70)32-30-44-41-17-6-10-22-48(41)62(3,4)60(44)58;2*58-57(59,60)34-23-24-35(33(29-34)31-62)38-16-10-20-46(64-44-18-6-2-15-42(44)54-48(64)28-26-40-37-13-4-8-22-50(37)66-56(40)54)52(38)51-32(30-61)11-9-19-45(51)63-43-17-5-1-14-41(43)53-47(63)27-25-39-36-12-3-7-21-49(36)65-55(39)53;1-53-31-14-20-44-40(24-31)36-8-3-5-9-42(36)55(44)32-15-17-33(34-16-13-30(47(48,49)50)23-41(34)54-2)37(25-32)39-22-29(27-52)12-19-46(39)56-43-10-6-4-7-35(43)38-21-28(26-51)11-18-45(38)56/h3-41H;2-40H;5-33H,1-4H3;2*1-29H;3-25H
InChIKeyMCWFCHRMUYEBHJ-UHFFFAOYSA-N
XLogP100.54
TPSA341.07 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms414
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005407.89
LogP ≤ 5100.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile with MolForge

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Related Compounds

4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
4,7-Bis([1]benzofuro[2,3-b]carbazol-7-yl)-2,2-difluoro-1,1,3,3-tetramethylindene-5,6-dicarbonitrile
CID 122609865
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473301
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
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552826
2-[2,4-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)-3,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 139553739
4,7-Bis([1]benzofuro[2,3-b]carbazol-7-yl)-2,2-difluoro-6-isocyano-1,1,3,3-tetramethylindene-5-carbonitrile
CID 140745726
4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-6-isocyano-2-benzofuran-5-carbonitrile
CID 140745893
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 153303218
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 153303224
10-N,22-N-bis(4-fluorophenyl)-26-phenyl-10-N,22-N-bis(6-phenyldibenzofuran-2-yl)-13-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.023,30.024,29]triaconta-2(18),3(15),4,6(14),7(12),8,10,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 156374017
2,6-bis([1]benzofuro[3,2-b]carbazol-11-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-b]carbazol-11-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(11H-indeno[1,2-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[3,2-b]carbazol-5-yl)benzonitrile
CID 157186735

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile (CID 159529951) is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(C#N)c1-c1c(-c2ccc(C(F)(F)F)cc2C#N)cccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1c(C#N)cccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1c(C#N)cccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2[N+]#[C-])c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(C#N)ccc32)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1c(-c2ccc(C(F)(F)F)cc2C#N)cccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile?
The InChIKey is MCWFCHRMUYEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H39F3N6.C63H41F3N4.C57H29F3N4O2.C57H29F3N4S2.C47H23F3N6/c1-73-53-28-18-34-60(78-58-32-16-12-26-52(58)65-62(78)40-38-50-47-24-10-14-30-56(47)76(68(50)65)44-21-7-4-8-22-44)66(53)63-48(45-36-35-42(69(70,71)72)41-54(45)74-2)27-17-33-59(63)77-57-31-15-11-25-51(57)64-61(77)39-37-49-46-23-9-13-29-55(46)75(67(49)64)43-19-5-3-6-20-43;1-74-56-27-17-33-62(78-60-31-15-11-25-50(60)55-38-53-48-23-9-13-29-58(48)76(64(53)40-66(55)78)45-20-6-3-7-21-45)68(56)67-51(46-35-34-43(69(70,71)72)36-42(46)41-73)26-16-32-61(67)77-59-30-14-10-24-49(59)54-37-52-47-22-8-12-28-57(47)75(63(52)39-65(54)77)44-18-4-2-5-19-44;1-61(2)47-21-9-5-16-40(47)43-29-31-53-57(59(43)61)45-18-7-11-23-49(45)69(53)51-25-13-15-36(34-67)55(51)56-42(39-28-27-38(63(64,65)66)33-37(39)35-68)20-14-26-52(56)70-50-24-12-8-19-46(50)58-54(70)32-30-44-41-17-6-10-22-48(41)62(3,4)60(44)58;2*58-57(59,60)34-23-24-35(33(29-34)31-62)38-16-10-20-46(64-44-18-6-2-15-42(44)54-48(64)28-26-40-37-13-4-8-22-50(37)66-56(40)54)52(38)51-32(30-61)11-9-19-45(51)63-43-17-5-1-14-41(43)53-47(63)27-25-39-36-12-3-7-21-49(36)65-55(39)53;1-53-31-14-20-44-40(24-31)36-8-3-5-9-42(36)55(44)32-15-17-33(34-16-13-30(47(48,49)50)23-41(34)54-2)37(25-32)39-22-29(27-52)12-19-46(39)56-43-10-6-4-7-35(43)38-21-28(26-51)11-18-45(38)56/h3-41H;2-40H;5-33H,1-4H3;2*1-29H;3-25H.
What are the key properties of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile?
3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile has a molecular weight of 5407.89 g/mol, XLogP of 100.54, 28 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[4-cyano-2-[5-(3-isocyanocarbazol-9-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;2-[2-[2-cyano-4-(trifluoromethyl)phenyl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[3-isocyano-2-[2-[2-isocyano-4-(trifluoromethyl)phenyl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;2-[2-[2-isocyano-6-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 159529951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).