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

C367H238F18N38O2S2 — CID 157340844

IUPAC3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESCc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(Cc2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-c2ccc(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1
InChIInChI=1S/C69H42F3N5.C66H50F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-42-17-16-26-55(69(70,71)72)64(42)44-32-34-50(63(40-44)77-59-30-15-11-25-54(59)66-61(77)38-36-52-48-23-9-13-28-57(48)75(68(52)66)46-20-6-3-7-21-46)49-33-31-43(41-73)39-62(49)76-58-29-14-10-24-53(58)65-60(76)37-35-51-47-22-8-12-27-56(47)74(67(51)65)45-18-4-2-5-19-45;1-33-11-10-12-54(66(67,68)69)62(33)44-15-20-49(60(31-44)84-55-21-14-42(27-61-75-34(2)71-35(3)76-61)25-50(55)51-28-45(16-22-56(51)84)63-77-36(4)72-37(5)78-63)48-19-13-43(32-70)26-59(48)83-57-23-17-46(64-79-38(6)73-39(7)80-64)29-52(57)53-30-47(18-24-58(53)83)65-81-40(8)74-41(9)82-65;1-36-15-14-22-49(63(64,65)66)56(36)38-26-28-42(55(34-38)69-51-24-13-9-19-46(51)58-53(69)32-30-44-40-17-7-11-21-48(40)62(4,5)60(44)58)41-27-25-37(35-67)33-54(41)68-50-23-12-8-18-45(50)57-52(68)31-29-43-39-16-6-10-20-47(39)61(2,3)59(43)57;2*1-32-11-10-16-43(57(58,59)60)52(32)34-22-24-36(49(30-34)63-45-18-7-3-15-42(45)54-47(63)28-26-40-38-13-5-9-20-51(38)65-56(40)54)35-23-21-33(31-61)29-48(35)62-44-17-6-2-14-41(44)53-46(62)27-25-39-37-12-4-8-19-50(37)64-55(39)53;1-30-11-10-14-45(55(56,57)58)52(30)36-18-22-42(51(28-36)67-47-16-9-7-13-40(47)44-27-38(20-24-49(44)67)54-64-33(4)61-34(5)65-54)41-21-17-35(29-59)25-50(41)66-46-15-8-6-12-39(46)43-26-37(19-23-48(43)66)53-62-31(2)60-32(3)63-53/h2-40H,1H3;10-26,28-31H,27H2,1-9H3;6-34H,1-5H3;2*2-30H,1H3;6-28H,1-5H3
InChIKeyBGJJWVRBTRGZTJ-UHFFFAOYSA-N
MW5618.30 g/mol
LogP96.56
Rot. Bonds33

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

3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 157340844) has the molecular formula C367H238F18N38O2S2 and a molecular weight of 5618.30 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID157340844
Molecular FormulaC367H238F18N38O2S2
Molecular Weight5618.30 g/mol
Exact Mass5613.88
IUPAC Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESCc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(Cc2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-c2ccc(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1
InChIInChI=1S/C69H42F3N5.C66H50F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-42-17-16-26-55(69(70,71)72)64(42)44-32-34-50(63(40-44)77-59-30-15-11-25-54(59)66-61(77)38-36-52-48-23-9-13-28-57(48)75(68(52)66)46-20-6-3-7-21-46)49-33-31-43(41-73)39-62(49)76-58-29-14-10-24-53(58)65-60(76)37-35-51-47-22-8-12-27-56(47)74(67(51)65)45-18-4-2-5-19-45;1-33-11-10-12-54(66(67,68)69)62(33)44-15-20-49(60(31-44)84-55-21-14-42(27-61-75-34(2)71-35(3)76-61)25-50(55)51-28-45(16-22-56(51)84)63-77-36(4)72-37(5)78-63)48-19-13-43(32-70)26-59(48)83-57-23-17-46(64-79-38(6)73-39(7)80-64)29-52(57)53-30-47(18-24-58(53)83)65-81-40(8)74-41(9)82-65;1-36-15-14-22-49(63(64,65)66)56(36)38-26-28-42(55(34-38)69-51-24-13-9-19-46(51)58-53(69)32-30-44-40-17-7-11-21-48(40)62(4,5)60(44)58)41-27-25-37(35-67)33-54(41)68-50-23-12-8-18-45(50)57-52(68)31-29-43-39-16-6-10-20-47(39)61(2,3)59(43)57;2*1-32-11-10-16-43(57(58,59)60)52(32)34-22-24-36(49(30-34)63-45-18-7-3-15-42(45)54-47(63)28-26-40-38-13-5-9-20-51(38)65-56(40)54)35-23-21-33(31-61)29-48(35)62-44-17-6-2-14-41(44)53-46(62)27-25-39-37-12-4-8-19-50(37)64-55(39)53;1-30-11-10-14-45(55(56,57)58)52(30)36-18-22-42(51(28-36)67-47-16-9-7-13-40(47)44-27-38(20-24-49(44)67)54-64-33(4)61-34(5)65-54)41-21-17-35(29-59)25-50(41)66-46-15-8-6-12-39(46)43-26-37(19-23-48(43)66)53-62-31(2)60-32(3)63-53/h2-40H,1H3;10-26,28-31H,27H2,1-9H3;6-34H,1-5H3;2*2-30H,1H3;6-28H,1-5H3
InChIKeyBGJJWVRBTRGZTJ-UHFFFAOYSA-N
XLogP96.56
TPSA470.06 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds33
Heavy Atoms427
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005618.30
LogP ≤ 596.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

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

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Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 157340844) is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(C(F)(F)F)c1-c1ccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(Cc2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-c2ccc(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.
What is the InChIKey of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is BGJJWVRBTRGZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F3N5.C66H50F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-42-17-16-26-55(69(70,71)72)64(42)44-32-34-50(63(40-44)77-59-30-15-11-25-54(59)66-61(77)38-36-52-48-23-9-13-28-57(48)75(68(52)66)46-20-6-3-7-21-46)49-33-31-43(41-73)39-62(49)76-58-29-14-10-24-53(58)65-60(76)37-35-51-47-22-8-12-27-56(47)74(67(51)65)45-18-4-2-5-19-45;1-33-11-10-12-54(66(67,68)69)62(33)44-15-20-49(60(31-44)84-55-21-14-42(27-61-75-34(2)71-35(3)76-61)25-50(55)51-28-45(16-22-56(51)84)63-77-36(4)72-37(5)78-63)48-19-13-43(32-70)26-59(48)83-57-23-17-46(64-79-38(6)73-39(7)80-64)29-52(57)53-30-47(18-24-58(53)83)65-81-40(8)74-41(9)82-65;1-36-15-14-22-49(63(64,65)66)56(36)38-26-28-42(55(34-38)69-51-24-13-9-19-46(51)58-53(69)32-30-44-40-17-7-11-21-48(40)62(4,5)60(44)58)41-27-25-37(35-67)33-54(41)68-50-23-12-8-18-45(50)57-52(68)31-29-43-39-16-6-10-20-47(39)61(2,3)59(43)57;2*1-32-11-10-16-43(57(58,59)60)52(32)34-22-24-36(49(30-34)63-45-18-7-3-15-42(45)54-47(63)28-26-40-38-13-5-9-20-51(38)65-56(40)54)35-23-21-33(31-61)29-48(35)62-44-17-6-2-14-41(44)53-46(62)27-25-39-37-12-4-8-19-50(37)64-55(39)53;1-30-11-10-14-45(55(56,57)58)52(30)36-18-22-42(51(28-36)67-47-16-9-7-13-40(47)44-27-38(20-24-49(44)67)54-64-33(4)61-34(5)65-54)41-21-17-35(29-59)25-50(41)66-46-15-8-6-12-39(46)43-26-37(19-23-48(43)66)53-62-31(2)60-32(3)63-53/h2-40H,1H3;10-26,28-31H,27H2,1-9H3;6-34H,1-5H3;2*2-30H,1H3;6-28H,1-5H3.
What are the key properties of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 5618.30 g/mol, XLogP of 96.56, 33 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[(4,6-dimethyl-1,3,5-triazin-2-yl)methyl]carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 157340844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).