3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole

C366H234F21N29 — CID 157052494

IUPAC3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C(F)(F)F.Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C(F)(F)F.Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.N#Cc1cccc(-c2c(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c1.[C-]#[N+]c1cccc(-c2c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C82H50F3N7.2C60H36F3N5.2C42H30F3N3.2C40H26F3N3/c83-82(84,85)66-49-79(91-75-28-24-57(61-32-36-87-71(45-61)53-15-5-1-6-16-53)41-67(75)68-42-58(25-29-76(68)91)62-33-37-88-72(46-62)54-17-7-2-8-18-54)81(65-23-13-14-52(40-65)51-86)80(50-66)92-77-30-26-59(63-34-38-89-73(47-63)55-19-9-3-10-20-55)43-69(77)70-44-60(27-31-78(70)92)64-35-39-90-74(48-64)56-21-11-4-12-22-56;1-64-44-20-12-19-42(33-44)57-55(67-51-25-10-8-21-47(51)49-34-40(27-29-53(49)67)45-23-13-31-65-58(45)38-15-4-2-5-16-38)36-43(60(61,62)63)37-56(57)68-52-26-11-9-22-48(52)50-35-41(28-30-54(50)68)46-24-14-32-66-59(46)39-17-6-3-7-18-39;61-60(62,63)44-35-55(67-51-24-9-7-20-47(51)49-28-26-41(33-53(49)67)45-22-12-30-65-58(45)39-15-3-1-4-16-39)57(43-19-11-14-38(32-43)37-64)56(36-44)68-52-25-10-8-21-48(52)50-29-27-42(34-54(50)68)46-23-13-31-66-59(46)40-17-5-2-6-18-40;1-24-8-12-35-31(16-24)32-17-25(2)9-13-36(32)47(35)39-21-30(29-7-5-6-28(20-29)23-46)22-40(41(39)42(43,44)45)48-37-14-10-26(3)18-33(37)34-19-27(4)11-15-38(34)48;1-24-8-12-31-32-13-9-25(2)17-36(32)47(35(31)16-24)39-21-30(29-7-5-6-28(20-29)23-46)22-40(41(39)42(43,44)45)48-37-18-26(3)10-14-33(37)34-15-11-27(4)19-38(34)48;1-24-14-16-35-31(18-24)29-10-3-5-12-33(29)45(35)37-21-28(27-9-7-8-26(20-27)23-44)22-38(39(37)40(41,42)43)46-34-13-6-4-11-30(34)32-19-25(2)15-17-36(32)46;1-24-14-16-31-29-10-3-5-12-33(29)45(35(31)18-24)37-21-28(27-9-7-8-26(20-27)23-44)22-38(39(37)40(41,42)43)46-34-13-6-4-11-30(34)32-17-15-25(2)19-36(32)46/h1-50H;2-37H;1-36H;2*5-22H,1-4H3;2*3-22H,1-2H3
InChIKeyAAJHTEOTHKMZCW-UHFFFAOYSA-N
MW5437.06 g/mol
LogP99.28
Rot. Bonds37

About 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole

3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole (PubChem CID 157052494) has the molecular formula C366H234F21N29 and a molecular weight of 5437.06 g/mol. Its IUPAC name is 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
PubChem CID157052494
Molecular FormulaC366H234F21N29
Molecular Weight5437.06 g/mol
Exact Mass5432.89
IUPAC Name3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C(F)(F)F.Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C(F)(F)F.Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.N#Cc1cccc(-c2c(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c1.[C-]#[N+]c1cccc(-c2c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C82H50F3N7.2C60H36F3N5.2C42H30F3N3.2C40H26F3N3/c83-82(84,85)66-49-79(91-75-28-24-57(61-32-36-87-71(45-61)53-15-5-1-6-16-53)41-67(75)68-42-58(25-29-76(68)91)62-33-37-88-72(46-62)54-17-7-2-8-18-54)81(65-23-13-14-52(40-65)51-86)80(50-66)92-77-30-26-59(63-34-38-89-73(47-63)55-19-9-3-10-20-55)43-69(77)70-44-60(27-31-78(70)92)64-35-39-90-74(48-64)56-21-11-4-12-22-56;1-64-44-20-12-19-42(33-44)57-55(67-51-25-10-8-21-47(51)49-34-40(27-29-53(49)67)45-23-13-31-65-58(45)38-15-4-2-5-16-38)36-43(60(61,62)63)37-56(57)68-52-26-11-9-22-48(52)50-35-41(28-30-54(50)68)46-24-14-32-66-59(46)39-17-6-3-7-18-39;61-60(62,63)44-35-55(67-51-24-9-7-20-47(51)49-28-26-41(33-53(49)67)45-22-12-30-65-58(45)39-15-3-1-4-16-39)57(43-19-11-14-38(32-43)37-64)56(36-44)68-52-25-10-8-21-48(52)50-29-27-42(34-54(50)68)46-23-13-31-66-59(46)40-17-5-2-6-18-40;1-24-8-12-35-31(16-24)32-17-25(2)9-13-36(32)47(35)39-21-30(29-7-5-6-28(20-29)23-46)22-40(41(39)42(43,44)45)48-37-14-10-26(3)18-33(37)34-19-27(4)11-15-38(34)48;1-24-8-12-31-32-13-9-25(2)17-36(32)47(35(31)16-24)39-21-30(29-7-5-6-28(20-29)23-46)22-40(41(39)42(43,44)45)48-37-18-26(3)10-14-33(37)34-15-11-27(4)19-38(34)48;1-24-14-16-35-31(18-24)29-10-3-5-12-33(29)45(35)37-21-28(27-9-7-8-26(20-27)23-44)22-38(39(37)40(41,42)43)46-34-13-6-4-11-30(34)32-19-25(2)15-17-36(32)46;1-24-14-16-31-29-10-3-5-12-33(29)45(35(31)18-24)37-21-28(27-9-7-8-26(20-27)23-44)22-38(39(37)40(41,42)43)46-34-13-6-4-11-30(34)32-17-15-25(2)19-36(32)46/h1-50H;2-37H;1-36H;2*5-22H,1-4H3;2*3-22H,1-2H3
InChIKeyAAJHTEOTHKMZCW-UHFFFAOYSA-N
XLogP99.28
TPSA319.24 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms416
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005437.06
LogP ≤ 599.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole with MolForge

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Related Compounds

(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
bis(2-[2-carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);platinum(2+)
CID 57872665
5-[4-[2,4-Dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
CID 58401848
9-[6-(3,6-Difluorocarbazol-9-yl)-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-difluorocarbazole
CID 59357213
9-[6-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357264
4-[5-[3-[8-(4-Cyano-2,6-difluorophenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indol-8-yl]-3,5-difluorobenzonitrile
CID 68163635
4-[5-[3-[8-(2,6-Difluoro-4-isocyanophenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indol-8-yl]-3,5-difluorobenzonitrile
CID 88853110
3-[5-[3-[8-[3-Isocyano-5-(trifluoromethyl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indol-8-yl]-5-methylbenzonitrile
CID 88853114
3-[9-But-3-enyl-5-[3-but-3-enyl-5-[9-but-3-enyl-8-[3-isocyano-5-(trifluoromethyl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indol-8-yl]-5-methylbenzonitrile
CID 88853153
3-[9-But-3-enyl-5-[3-but-3-enyl-5-[9-but-3-enyl-8-[3-cyano-5-(trifluoromethyl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indol-8-yl]-5-(trifluoromethyl)benzonitrile
CID 88853198
9-(3-Pyridin-2-ylphenyl)-3,6-bis[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
CID 88864323
8-[2,5-Dimethyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]phenyl]-5-[4-[2,4-dimethyl-6-(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indole
CID 89822352

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole (CID 157052494) is 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C(F)(F)F.Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C(F)(F)F.Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C(F)(F)F)c2c1.N#Cc1cccc(-c2c(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c1.[C-]#[N+]c1cccc(-c2c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1.
What is the InChIKey of 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The InChIKey is AAJHTEOTHKMZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7.2C60H36F3N5.2C42H30F3N3.2C40H26F3N3/c83-82(84,85)66-49-79(91-75-28-24-57(61-32-36-87-71(45-61)53-15-5-1-6-16-53)41-67(75)68-42-58(25-29-76(68)91)62-33-37-88-72(46-62)54-17-7-2-8-18-54)81(65-23-13-14-52(40-65)51-86)80(50-66)92-77-30-26-59(63-34-38-89-73(47-63)55-19-9-3-10-20-55)43-69(77)70-44-60(27-31-78(70)92)64-35-39-90-74(48-64)56-21-11-4-12-22-56;1-64-44-20-12-19-42(33-44)57-55(67-51-25-10-8-21-47(51)49-34-40(27-29-53(49)67)45-23-13-31-65-58(45)38-15-4-2-5-16-38)36-43(60(61,62)63)37-56(57)68-52-26-11-9-22-48(52)50-35-41(28-30-54(50)68)46-24-14-32-66-59(46)39-17-6-3-7-18-39;61-60(62,63)44-35-55(67-51-24-9-7-20-47(51)49-28-26-41(33-53(49)67)45-22-12-30-65-58(45)39-15-3-1-4-16-39)57(43-19-11-14-38(32-43)37-64)56(36-44)68-52-25-10-8-21-48(52)50-29-27-42(34-54(50)68)46-23-13-31-66-59(46)40-17-5-2-6-18-40;1-24-8-12-35-31(16-24)32-17-25(2)9-13-36(32)47(35)39-21-30(29-7-5-6-28(20-29)23-46)22-40(41(39)42(43,44)45)48-37-14-10-26(3)18-33(37)34-19-27(4)11-15-38(34)48;1-24-8-12-31-32-13-9-25(2)17-36(32)47(35(31)16-24)39-21-30(29-7-5-6-28(20-29)23-46)22-40(41(39)42(43,44)45)48-37-18-26(3)10-14-33(37)34-15-11-27(4)19-38(34)48;1-24-14-16-35-31(18-24)29-10-3-5-12-33(29)45(35)37-21-28(27-9-7-8-26(20-27)23-44)22-38(39(37)40(41,42)43)46-34-13-6-4-11-30(34)32-19-25(2)15-17-36(32)46;1-24-14-16-31-29-10-3-5-12-33(29)45(35(31)18-24)37-21-28(27-9-7-8-26(20-27)23-44)22-38(39(37)40(41,42)43)46-34-13-6-4-11-30(34)32-17-15-25(2)19-36(32)46/h1-50H;2-37H;1-36H;2*5-22H,1-4H3;2*3-22H,1-2H3.
What are the key properties of 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 5437.06 g/mol, XLogP of 99.28, 37 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3,6-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;9-[2-(3-isocyanophenyl)-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 157052494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).