2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

C410H226F24N50O4S2 — CID 157432745

IUPAC2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2cc(-c3ncccn3)ccc2c2ccc(-c3ncccn3)cc21.N#Cc1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.N#Cc1c(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.N#Cc1c(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.N#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.N#Cc1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.N#Cc1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C60H36F3N5.2C54H30F3N11.2C50H26F3N3O2.C50H26F3N3S2.2C46H26F3N7/c61-60(62,63)49-22-10-7-19-43(49)42-35-58(67-54-27-11-8-20-44(54)46-31-29-40(33-56(46)67)52-25-13-23-50(65-52)38-15-3-1-4-16-38)48(37-64)59(36-42)68-55-28-12-9-21-45(55)47-32-30-41(34-57(47)68)53-26-14-24-51(66-53)39-17-5-2-6-18-39;55-54(56,57)43-8-2-1-7-37(43)36-29-48(67-44-13-9-32(50-59-17-3-18-60-50)25-38(44)39-26-33(10-14-45(39)67)51-61-19-4-20-62-51)42(31-58)49(30-36)68-46-15-11-34(52-63-21-5-22-64-52)27-40(46)41-28-35(12-16-47(41)68)53-65-23-6-24-66-53;55-54(56,57)43-8-2-1-7-37(43)36-29-48(67-44-25-32(50-59-17-3-18-60-50)9-13-38(44)39-14-10-33(26-45(39)67)51-61-19-4-20-62-51)42(31-58)49(30-36)68-46-27-34(52-63-21-5-22-64-52)11-15-40(46)41-16-12-35(28-47(41)68)53-65-23-6-24-66-53;51-50(52,53)37-16-6-1-11-29(37)28-25-40(55-38-17-7-2-12-30(38)32-21-23-44-46(48(32)55)34-14-4-9-19-42(34)57-44)36(27-54)41(26-28)56-39-18-8-3-13-31(39)33-22-24-45-47(49(33)56)35-15-5-10-20-43(35)58-45;51-50(52,53)39-16-6-1-11-29(39)28-25-42(55-40-17-7-2-12-30(40)34-21-23-36-32-14-4-9-19-44(32)57-48(36)46(34)55)38(27-54)43(26-28)56-41-18-8-3-13-31(41)35-22-24-37-33-15-5-10-20-45(33)58-49(37)47(35)56;51-50(52,53)37-16-6-1-11-29(37)28-25-40(55-38-17-7-2-12-30(38)32-21-23-44-46(48(32)55)34-14-4-9-19-42(34)57-44)36(27-54)41(26-28)56-39-18-8-3-13-31(39)33-22-24-45-47(49(33)56)35-15-5-10-20-43(35)58-45;47-46(48,49)37-12-4-1-9-31(37)30-25-42(55-38-13-5-2-10-32(38)34-23-28(15-17-40(34)55)44-51-19-7-20-52-44)36(27-50)43(26-30)56-39-14-6-3-11-33(39)35-24-29(16-18-41(35)56)45-53-21-8-22-54-45;47-46(48,49)37-12-4-1-9-31(37)30-25-42(55-38-13-5-2-10-32(38)34-17-15-28(23-40(34)55)44-51-19-7-20-52-44)36(27-50)43(26-30)56-39-14-6-3-11-33(39)35-18-16-29(24-41(35)56)45-53-21-8-22-54-45/h1-36H;2*1-30H;3*1-26H;2*1-26H
InChIKeyBQSVCKUFSCDLPI-UHFFFAOYSA-N
MW6436.75 g/mol
LogP106.78
Rot. Bonds40

About 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 157432745) has the molecular formula C410H226F24N50O4S2 and a molecular weight of 6436.75 g/mol. Its IUPAC name is 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID157432745
Molecular FormulaC410H226F24N50O4S2
Molecular Weight6436.75 g/mol
Exact Mass6431.81
IUPAC Name2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2cc(-c3ncccn3)ccc2c2ccc(-c3ncccn3)cc21.N#Cc1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.N#Cc1c(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.N#Cc1c(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.N#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.N#Cc1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.N#Cc1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C60H36F3N5.2C54H30F3N11.2C50H26F3N3O2.C50H26F3N3S2.2C46H26F3N7/c61-60(62,63)49-22-10-7-19-43(49)42-35-58(67-54-27-11-8-20-44(54)46-31-29-40(33-56(46)67)52-25-13-23-50(65-52)38-15-3-1-4-16-38)48(37-64)59(36-42)68-55-28-12-9-21-45(55)47-32-30-41(34-57(47)68)53-26-14-24-51(66-53)39-17-5-2-6-18-39;55-54(56,57)43-8-2-1-7-37(43)36-29-48(67-44-13-9-32(50-59-17-3-18-60-50)25-38(44)39-26-33(10-14-45(39)67)51-61-19-4-20-62-51)42(31-58)49(30-36)68-46-15-11-34(52-63-21-5-22-64-52)27-40(46)41-28-35(12-16-47(41)68)53-65-23-6-24-66-53;55-54(56,57)43-8-2-1-7-37(43)36-29-48(67-44-25-32(50-59-17-3-18-60-50)9-13-38(44)39-14-10-33(26-45(39)67)51-61-19-4-20-62-51)42(31-58)49(30-36)68-46-27-34(52-63-21-5-22-64-52)11-15-40(46)41-16-12-35(28-47(41)68)53-65-23-6-24-66-53;51-50(52,53)37-16-6-1-11-29(37)28-25-40(55-38-17-7-2-12-30(38)32-21-23-44-46(48(32)55)34-14-4-9-19-42(34)57-44)36(27-54)41(26-28)56-39-18-8-3-13-31(39)33-22-24-45-47(49(33)56)35-15-5-10-20-43(35)58-45;51-50(52,53)39-16-6-1-11-29(39)28-25-42(55-40-17-7-2-12-30(40)34-21-23-36-32-14-4-9-19-44(32)57-48(36)46(34)55)38(27-54)43(26-28)56-41-18-8-3-13-31(41)35-22-24-37-33-15-5-10-20-45(33)58-49(37)47(35)56;51-50(52,53)37-16-6-1-11-29(37)28-25-40(55-38-17-7-2-12-30(38)32-21-23-44-46(48(32)55)34-14-4-9-19-42(34)57-44)36(27-54)41(26-28)56-39-18-8-3-13-31(39)33-22-24-45-47(49(33)56)35-15-5-10-20-43(35)58-45;47-46(48,49)37-12-4-1-9-31(37)30-25-42(55-38-13-5-2-10-32(38)34-23-28(15-17-40(34)55)44-51-19-7-20-52-44)36(27-50)43(26-30)56-39-14-6-3-11-33(39)35-24-29(16-18-41(35)56)45-53-21-8-22-54-45;47-46(48,49)37-12-4-1-9-31(37)30-25-42(55-38-13-5-2-10-32(38)34-17-15-28(23-40(34)55)44-51-19-7-20-52-44)36(27-50)43(26-30)56-39-14-6-3-11-33(39)35-18-16-29(24-41(35)56)45-53-21-8-22-54-45/h1-36H;2*1-30H;3*1-26H;2*1-26H
InChIKeyBQSVCKUFSCDLPI-UHFFFAOYSA-N
XLogP106.78
TPSA656.90 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds40
Heavy Atoms490
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006436.75
LogP ≤ 5106.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 157432745) is 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2cc(-c3ncccn3)ccc2c2ccc(-c3ncccn3)cc21.N#Cc1c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.N#Cc1c(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.N#Cc1c(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.N#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.N#Cc1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.N#Cc1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.
What is the InChIKey of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is BQSVCKUFSCDLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F3N5.2C54H30F3N11.2C50H26F3N3O2.C50H26F3N3S2.2C46H26F3N7/c61-60(62,63)49-22-10-7-19-43(49)42-35-58(67-54-27-11-8-20-44(54)46-31-29-40(33-56(46)67)52-25-13-23-50(65-52)38-15-3-1-4-16-38)48(37-64)59(36-42)68-55-28-12-9-21-45(55)47-32-30-41(34-57(47)68)53-26-14-24-51(66-53)39-17-5-2-6-18-39;55-54(56,57)43-8-2-1-7-37(43)36-29-48(67-44-13-9-32(50-59-17-3-18-60-50)25-38(44)39-26-33(10-14-45(39)67)51-61-19-4-20-62-51)42(31-58)49(30-36)68-46-15-11-34(52-63-21-5-22-64-52)27-40(46)41-28-35(12-16-47(41)68)53-65-23-6-24-66-53;55-54(56,57)43-8-2-1-7-37(43)36-29-48(67-44-25-32(50-59-17-3-18-60-50)9-13-38(44)39-14-10-33(26-45(39)67)51-61-19-4-20-62-51)42(31-58)49(30-36)68-46-27-34(52-63-21-5-22-64-52)11-15-40(46)41-16-12-35(28-47(41)68)53-65-23-6-24-66-53;51-50(52,53)37-16-6-1-11-29(37)28-25-40(55-38-17-7-2-12-30(38)32-21-23-44-46(48(32)55)34-14-4-9-19-42(34)57-44)36(27-54)41(26-28)56-39-18-8-3-13-31(39)33-22-24-45-47(49(33)56)35-15-5-10-20-43(35)58-45;51-50(52,53)39-16-6-1-11-29(39)28-25-42(55-40-17-7-2-12-30(40)34-21-23-36-32-14-4-9-19-44(32)57-48(36)46(34)55)38(27-54)43(26-28)56-41-18-8-3-13-31(41)35-22-24-37-33-15-5-10-20-45(33)58-49(37)47(35)56;51-50(52,53)37-16-6-1-11-29(37)28-25-40(55-38-17-7-2-12-30(38)32-21-23-44-46(48(32)55)34-14-4-9-19-42(34)57-44)36(27-54)41(26-28)56-39-18-8-3-13-31(39)33-22-24-45-47(49(33)56)35-15-5-10-20-43(35)58-45;47-46(48,49)37-12-4-1-9-31(37)30-25-42(55-38-13-5-2-10-32(38)34-23-28(15-17-40(34)55)44-51-19-7-20-52-44)36(27-50)43(26-30)56-39-14-6-3-11-33(39)35-24-29(16-18-41(35)56)45-53-21-8-22-54-45;47-46(48,49)37-12-4-1-9-31(37)30-25-42(55-38-13-5-2-10-32(38)34-17-15-28(23-40(34)55)44-51-19-7-20-52-44)36(27-50)43(26-30)56-39-14-6-3-11-33(39)35-18-16-29(24-41(35)56)45-53-21-8-22-54-45/h1-36H;2*1-30H;3*1-26H;2*1-26H.
What are the key properties of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 6436.75 g/mol, XLogP of 106.78, 40 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 157432745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).