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

C380H234F6N40O2S2 — CID 159043250

IUPAC4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/2C69H42N6.C65H45F3N16.C63H44N4.C57H29F3N4O2.C57H32N4S2/c1-43-38-44(41-70)28-31-49(43)46-30-35-63(75-61-27-15-11-23-55(61)67-65(75)37-33-53-51-21-9-13-25-59(51)73(69(53)67)48-18-6-3-7-19-48)57(40-46)56-39-45(42-71)29-34-62(56)74-60-26-14-10-22-54(60)66-64(74)36-32-52-50-20-8-12-24-58(50)72(68(52)66)47-16-4-2-5-17-47;1-43-34-44(41-70)28-31-49(43)46-30-33-65(75-63-27-15-11-23-53(63)59-38-57-51-21-9-13-25-61(51)73(67(57)40-69(59)75)48-18-6-3-7-19-48)55(36-46)54-35-45(42-71)29-32-64(54)74-62-26-14-10-22-52(62)58-37-56-50-20-8-12-24-60(50)72(66(56)39-68(58)74)47-16-4-2-5-17-47;1-32-71-33(2)76-61(75-32)43-12-19-57-50(26-43)51-27-44(62-77-34(3)72-35(4)78-62)13-20-58(51)83(57)55-17-10-40(30-69)23-48(55)49-25-42(47-16-9-41(31-70)24-54(47)65(66,67)68)11-18-56(49)84-59-21-14-45(63-79-36(5)73-37(6)80-63)28-52(59)53-29-46(15-22-60(53)84)64-81-38(7)74-39(8)82-64;1-37-32-38(35-64)22-25-41(37)40-24-29-55(67-53-21-13-9-17-47(53)59-57(67)31-27-45-43-15-7-11-19-51(43)63(4,5)61(45)59)49(34-40)48-33-39(36-65)23-28-54(48)66-52-20-12-8-16-46(52)58-56(66)30-26-44-42-14-6-10-18-50(42)62(2,3)60(44)58;58-57(59,60)44-28-33(31-62)17-20-35(44)34-19-24-48(64-46-14-6-2-12-41(46)54-50(64)26-22-39-37-10-4-8-16-52(37)66-56(39)54)43(29-34)42-27-32(30-61)18-23-47(42)63-45-13-5-1-11-40(45)53-49(63)25-21-38-36-9-3-7-15-51(36)65-55(38)53;1-33-28-34(31-58)18-21-37(33)36-20-25-49(61-47-15-7-3-13-43(47)55-51(61)27-23-41-39-11-5-9-17-53(39)63-57(41)55)45(30-36)44-29-35(32-59)19-24-48(44)60-46-14-6-2-12-42(46)54-50(60)26-22-40-38-10-4-8-16-52(38)62-56(40)54/h2*2-40H,1H3;9-29H,1-8H3;6-34H,1-5H3;1-29H;2-30H,1H3
InChIKeyJWINCUUUTXTWED-UHFFFAOYSA-N
MW5570.45 g/mol
LogP96.43
Rot. Bonds32

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

4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile (PubChem CID 159043250) has the molecular formula C380H234F6N40O2S2 and a molecular weight of 5570.45 g/mol. Its IUPAC name is 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile
PubChem CID159043250
Molecular FormulaC380H234F6N40O2S2
Molecular Weight5570.45 g/mol
Exact Mass5565.88
IUPAC Name4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/2C69H42N6.C65H45F3N16.C63H44N4.C57H29F3N4O2.C57H32N4S2/c1-43-38-44(41-70)28-31-49(43)46-30-35-63(75-61-27-15-11-23-55(61)67-65(75)37-33-53-51-21-9-13-25-59(51)73(69(53)67)48-18-6-3-7-19-48)57(40-46)56-39-45(42-71)29-34-62(56)74-60-26-14-10-22-54(60)66-64(74)36-32-52-50-20-8-12-24-58(50)72(68(52)66)47-16-4-2-5-17-47;1-43-34-44(41-70)28-31-49(43)46-30-33-65(75-63-27-15-11-23-53(63)59-38-57-51-21-9-13-25-61(51)73(67(57)40-69(59)75)48-18-6-3-7-19-48)55(36-46)54-35-45(42-71)29-32-64(54)74-62-26-14-10-22-52(62)58-37-56-50-20-8-12-24-60(50)72(66(56)39-68(58)74)47-16-4-2-5-17-47;1-32-71-33(2)76-61(75-32)43-12-19-57-50(26-43)51-27-44(62-77-34(3)72-35(4)78-62)13-20-58(51)83(57)55-17-10-40(30-69)23-48(55)49-25-42(47-16-9-41(31-70)24-54(47)65(66,67)68)11-18-56(49)84-59-21-14-45(63-79-36(5)73-37(6)80-63)28-52(59)53-29-46(15-22-60(53)84)64-81-38(7)74-39(8)82-64;1-37-32-38(35-64)22-25-41(37)40-24-29-55(67-53-21-13-9-17-47(53)59-57(67)31-27-45-43-15-7-11-19-51(43)63(4,5)61(45)59)49(34-40)48-33-39(36-65)23-28-54(48)66-52-20-12-8-16-46(52)58-56(66)30-26-44-42-14-6-10-18-50(42)62(2,3)60(44)58;58-57(59,60)44-28-33(31-62)17-20-35(44)34-19-24-48(64-46-14-6-2-12-41(46)54-50(64)26-22-39-37-10-4-8-16-52(37)66-56(39)54)43(29-34)42-27-32(30-61)18-23-47(42)63-45-13-5-1-11-40(45)53-49(63)25-21-38-36-9-3-7-15-51(36)65-55(38)53;1-33-28-34(31-58)18-21-37(33)36-20-25-49(61-47-15-7-3-13-43(47)55-51(61)27-23-41-39-11-5-9-17-53(39)63-57(41)55)45(30-36)44-29-35(32-59)19-24-48(44)60-46-14-6-2-12-42(46)54-50(60)26-22-40-38-10-4-8-16-52(38)62-56(40)54/h2*2-40H,1H3;9-29H,1-8H3;6-34H,1-5H3;1-29H;2-30H,1H3
InChIKeyJWINCUUUTXTWED-UHFFFAOYSA-N
XLogP96.43
TPSA545.32 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms430
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005570.45
LogP ≤ 596.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The IUPAC name of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile (CID 159043250) is 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The InChIKey is JWINCUUUTXTWED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H42N6.C65H45F3N16.C63H44N4.C57H29F3N4O2.C57H32N4S2/c1-43-38-44(41-70)28-31-49(43)46-30-35-63(75-61-27-15-11-23-55(61)67-65(75)37-33-53-51-21-9-13-25-59(51)73(69(53)67)48-18-6-3-7-19-48)57(40-46)56-39-45(42-71)29-34-62(56)74-60-26-14-10-22-54(60)66-64(74)36-32-52-50-20-8-12-24-58(50)72(68(52)66)47-16-4-2-5-17-47;1-43-34-44(41-70)28-31-49(43)46-30-33-65(75-63-27-15-11-23-53(63)59-38-57-51-21-9-13-25-61(51)73(67(57)40-69(59)75)48-18-6-3-7-19-48)55(36-46)54-35-45(42-71)29-32-64(54)74-62-26-14-10-22-52(62)58-37-56-50-20-8-12-24-60(50)72(66(56)39-68(58)74)47-16-4-2-5-17-47;1-32-71-33(2)76-61(75-32)43-12-19-57-50(26-43)51-27-44(62-77-34(3)72-35(4)78-62)13-20-58(51)83(57)55-17-10-40(30-69)23-48(55)49-25-42(47-16-9-41(31-70)24-54(47)65(66,67)68)11-18-56(49)84-59-21-14-45(63-79-36(5)73-37(6)80-63)28-52(59)53-29-46(15-22-60(53)84)64-81-38(7)74-39(8)82-64;1-37-32-38(35-64)22-25-41(37)40-24-29-55(67-53-21-13-9-17-47(53)59-57(67)31-27-45-43-15-7-11-19-51(43)63(4,5)61(45)59)49(34-40)48-33-39(36-65)23-28-54(48)66-52-20-12-8-16-46(52)58-56(66)30-26-44-42-14-6-10-18-50(42)62(2,3)60(44)58;58-57(59,60)44-28-33(31-62)17-20-35(44)34-19-24-48(64-46-14-6-2-12-41(46)54-50(64)26-22-39-37-10-4-8-16-52(37)66-56(39)54)43(29-34)42-27-32(30-61)18-23-47(42)63-45-13-5-1-11-40(45)53-49(63)25-21-38-36-9-3-7-15-51(36)65-55(38)53;1-33-28-34(31-58)18-21-37(33)36-20-25-49(61-47-15-7-3-13-43(47)55-51(61)27-23-41-39-11-5-9-17-53(39)63-57(41)55)45(30-36)44-29-35(32-59)19-24-48(44)60-46-14-6-2-12-42(46)54-50(60)26-22-40-38-10-4-8-16-52(38)62-56(40)54/h2*2-40H,1H3;9-29H,1-8H3;6-34H,1-5H3;1-29H;2-30H,1H3.
What are the key properties of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile has a molecular weight of 5570.45 g/mol, XLogP of 96.43, 32 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 159043250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).