2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

C419H242F24N36O4S4 — CID 160830901

IUPAC2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESCc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(C#N)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C#N)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C63H38F3N5.C58H36F3N5.2C51H28F3N3O2.2C51H28F3N3S2.2C47H28F3N7/c1-38-17-16-26-51(63(64,65)66)58(38)50-36-56(70-54-29-14-10-24-44(54)48-33-31-46-42-22-8-12-27-52(42)68(59(46)61(48)70)40-18-4-2-5-19-40)39(37-67)35-57(50)71-55-30-15-11-25-45(55)49-34-32-47-43-23-9-13-28-53(43)69(60(47)62(49)71)41-20-6-3-7-21-41;1-34-15-14-22-44(58(59,60)61)53(34)43-32-51(65-46-24-11-6-18-37(46)39-27-29-49-54(56(39)65)41-20-8-10-23-45(41)63(49)2)35(33-62)31-52(43)66-47-25-12-7-19-38(47)40-28-30-50-55(57(40)66)42-21-9-13-26-48(42)64(50)36-16-4-3-5-17-36;1-28-11-10-16-37(51(52,53)54)46(28)36-26-40(56-38-17-6-2-12-30(38)32-21-23-44-47(49(32)56)34-14-4-8-19-42(34)58-44)29(27-55)25-41(36)57-39-18-7-3-13-31(39)33-22-24-45-48(50(33)57)35-15-5-9-20-43(35)59-45;1-28-11-10-16-39(51(52,53)54)46(28)38-26-42(56-40-17-6-2-12-30(40)34-21-23-36-32-14-4-8-19-44(32)58-49(36)47(34)56)29(27-55)25-43(38)57-41-18-7-3-13-31(41)35-22-24-37-33-15-5-9-20-45(33)59-50(37)48(35)57;1-28-11-10-16-37(51(52,53)54)46(28)36-26-40(56-38-17-6-2-12-30(38)32-21-23-44-47(49(32)56)34-14-4-8-19-42(34)58-44)29(27-55)25-41(36)57-39-18-7-3-13-31(39)33-22-24-45-48(50(33)57)35-15-5-9-20-43(35)59-45;1-28-11-10-16-39(51(52,53)54)46(28)38-26-42(56-40-17-6-2-12-30(40)34-21-23-36-32-14-4-8-19-44(32)58-49(36)47(34)56)29(27-55)25-43(38)57-41-18-7-3-13-31(41)35-22-24-37-33-15-5-9-20-45(33)59-50(37)48(35)57;1-28-9-6-12-37(47(48,49)50)44(28)36-26-42(56-38-13-4-2-10-32(38)34-23-29(15-17-40(34)56)45-52-19-7-20-53-45)31(27-51)25-43(36)57-39-14-5-3-11-33(39)35-24-30(16-18-41(35)57)46-54-21-8-22-55-46;1-28-9-6-12-37(47(48,49)50)44(28)36-26-40(56-38-13-4-2-10-32(38)34-17-15-29(23-41(34)56)45-52-19-7-20-53-45)31(27-51)25-43(36)57-39-14-5-3-11-33(39)35-18-16-30(24-42(35)57)46-54-21-8-22-55-46/h2-36H,1H3;3-32H,1-2H3;4*2-26H,1H3;2*2-26H,1H3
InChIKeySGUAWKDKHYBJGI-UHFFFAOYSA-N
MW6429.01 g/mol
LogP115.81
Rot. Bonds31

About 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (PubChem CID 160830901) has the molecular formula C419H242F24N36O4S4 and a molecular weight of 6429.01 g/mol. Its IUPAC name is 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
PubChem CID160830901
Molecular FormulaC419H242F24N36O4S4
Molecular Weight6429.01 g/mol
Exact Mass6423.83
IUPAC Name2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESCc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(C#N)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C#N)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C63H38F3N5.C58H36F3N5.2C51H28F3N3O2.2C51H28F3N3S2.2C47H28F3N7/c1-38-17-16-26-51(63(64,65)66)58(38)50-36-56(70-54-29-14-10-24-44(54)48-33-31-46-42-22-8-12-27-52(42)68(59(46)61(48)70)40-18-4-2-5-19-40)39(37-67)35-57(50)71-55-30-15-11-25-45(55)49-34-32-47-43-23-9-13-28-53(43)69(60(47)62(49)71)41-20-6-3-7-21-41;1-34-15-14-22-44(58(59,60)61)53(34)43-32-51(65-46-24-11-6-18-37(46)39-27-29-49-54(56(39)65)41-20-8-10-23-45(41)63(49)2)35(33-62)31-52(43)66-47-25-12-7-19-38(47)40-28-30-50-55(57(40)66)42-21-9-13-26-48(42)64(50)36-16-4-3-5-17-36;1-28-11-10-16-37(51(52,53)54)46(28)36-26-40(56-38-17-6-2-12-30(38)32-21-23-44-47(49(32)56)34-14-4-8-19-42(34)58-44)29(27-55)25-41(36)57-39-18-7-3-13-31(39)33-22-24-45-48(50(33)57)35-15-5-9-20-43(35)59-45;1-28-11-10-16-39(51(52,53)54)46(28)38-26-42(56-40-17-6-2-12-30(40)34-21-23-36-32-14-4-8-19-44(32)58-49(36)47(34)56)29(27-55)25-43(38)57-41-18-7-3-13-31(41)35-22-24-37-33-15-5-9-20-45(33)59-50(37)48(35)57;1-28-11-10-16-37(51(52,53)54)46(28)36-26-40(56-38-17-6-2-12-30(38)32-21-23-44-47(49(32)56)34-14-4-8-19-42(34)58-44)29(27-55)25-41(36)57-39-18-7-3-13-31(39)33-22-24-45-48(50(33)57)35-15-5-9-20-43(35)59-45;1-28-11-10-16-39(51(52,53)54)46(28)38-26-42(56-40-17-6-2-12-30(40)34-21-23-36-32-14-4-8-19-44(32)58-49(36)47(34)56)29(27-55)25-43(38)57-41-18-7-3-13-31(41)35-22-24-37-33-15-5-9-20-45(33)59-50(37)48(35)57;1-28-9-6-12-37(47(48,49)50)44(28)36-26-42(56-38-13-4-2-10-32(38)34-23-29(15-17-40(34)56)45-52-19-7-20-53-45)31(27-51)25-43(36)57-39-14-5-3-11-33(39)35-24-30(16-18-41(35)57)46-54-21-8-22-55-46;1-28-9-6-12-37(47(48,49)50)44(28)36-26-40(56-38-13-4-2-10-32(38)34-17-15-29(23-41(34)56)45-52-19-7-20-53-45)31(27-51)25-43(36)57-39-14-5-3-11-33(39)35-18-16-30(24-42(35)57)46-54-21-8-22-55-46/h2-36H,1H3;3-32H,1-2H3;4*2-26H,1H3;2*2-26H,1H3
InChIKeySGUAWKDKHYBJGI-UHFFFAOYSA-N
XLogP115.81
TPSA444.60 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms487
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006429.01
LogP ≤ 5115.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (CID 160830901) is 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(C#N)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C#N)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)cc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.
What is the InChIKey of 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The InChIKey is SGUAWKDKHYBJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38F3N5.C58H36F3N5.2C51H28F3N3O2.2C51H28F3N3S2.2C47H28F3N7/c1-38-17-16-26-51(63(64,65)66)58(38)50-36-56(70-54-29-14-10-24-44(54)48-33-31-46-42-22-8-12-27-52(42)68(59(46)61(48)70)40-18-4-2-5-19-40)39(37-67)35-57(50)71-55-30-15-11-25-45(55)49-34-32-47-43-23-9-13-28-53(43)69(60(47)62(49)71)41-20-6-3-7-21-41;1-34-15-14-22-44(58(59,60)61)53(34)43-32-51(65-46-24-11-6-18-37(46)39-27-29-49-54(56(39)65)41-20-8-10-23-45(41)63(49)2)35(33-62)31-52(43)66-47-25-12-7-19-38(47)40-28-30-50-55(57(40)66)42-21-9-13-26-48(42)64(50)36-16-4-3-5-17-36;1-28-11-10-16-37(51(52,53)54)46(28)36-26-40(56-38-17-6-2-12-30(38)32-21-23-44-47(49(32)56)34-14-4-8-19-42(34)58-44)29(27-55)25-41(36)57-39-18-7-3-13-31(39)33-22-24-45-48(50(33)57)35-15-5-9-20-43(35)59-45;1-28-11-10-16-39(51(52,53)54)46(28)38-26-42(56-40-17-6-2-12-30(40)34-21-23-36-32-14-4-8-19-44(32)58-49(36)47(34)56)29(27-55)25-43(38)57-41-18-7-3-13-31(41)35-22-24-37-33-15-5-9-20-45(33)59-50(37)48(35)57;1-28-11-10-16-37(51(52,53)54)46(28)36-26-40(56-38-17-6-2-12-30(38)32-21-23-44-47(49(32)56)34-14-4-8-19-42(34)58-44)29(27-55)25-41(36)57-39-18-7-3-13-31(39)33-22-24-45-48(50(33)57)35-15-5-9-20-43(35)59-45;1-28-11-10-16-39(51(52,53)54)46(28)38-26-42(56-40-17-6-2-12-30(40)34-21-23-36-32-14-4-8-19-44(32)58-49(36)47(34)56)29(27-55)25-43(38)57-41-18-7-3-13-31(41)35-22-24-37-33-15-5-9-20-45(33)59-50(37)48(35)57;1-28-9-6-12-37(47(48,49)50)44(28)36-26-42(56-38-13-4-2-10-32(38)34-23-29(15-17-40(34)56)45-52-19-7-20-53-45)31(27-51)25-43(36)57-39-14-5-3-11-33(39)35-24-30(16-18-41(35)57)46-54-21-8-22-55-46;1-28-9-6-12-37(47(48,49)50)44(28)36-26-40(56-38-13-4-2-10-32(38)34-17-15-29(23-41(34)56)45-52-19-7-20-53-45)31(27-51)25-43(36)57-39-14-5-3-11-33(39)35-18-16-30(24-42(35)57)46-54-21-8-22-55-46/h2-36H,1H3;3-32H,1-2H3;4*2-26H,1H3;2*2-26H,1H3.
What are the key properties of 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile has a molecular weight of 6429.01 g/mol, XLogP of 115.81, 31 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 160830901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).