3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

C297H176N26S — CID 164997432

IUPAC3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-c5cc(C#N)cc(-n6c7ccccc7c7ccccc76)c5)c4)c3c21.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C57H34N4.2C50H29N5.C49H30N4.C47H30N4.C44H24N4S/c58-35-37-27-39(31-43(29-37)60-53-24-12-8-20-46(53)47-21-9-13-25-54(47)60)40-28-38(36-59)30-44(32-40)61-55-26-14-10-22-48(55)50-33-52-49(34-56(50)61)45-19-7-11-23-51(45)57(52,41-15-3-1-4-16-41)42-17-5-2-6-18-42;51-30-32-24-34(28-37(26-32)54-44-18-8-4-14-39(44)40-15-5-9-19-45(40)54)35-25-33(31-52)27-38(29-35)55-46-20-10-6-16-41(46)42-22-23-48-49(50(42)55)43-17-7-11-21-47(43)53(48)36-12-2-1-3-13-36;51-30-32-24-34(28-37(26-32)54-43-18-8-4-14-39(43)40-15-5-9-19-44(40)54)35-25-33(31-52)27-38(29-35)55-46-21-11-7-17-42(46)50-48(55)23-22-47-49(50)41-16-6-10-20-45(41)53(47)36-12-2-1-3-13-36;50-31-32-27-34(33-13-12-16-36(29-33)51-43-21-8-4-17-38(43)39-18-5-9-22-44(39)51)30-37(28-32)52-46-24-11-7-20-42(46)48-47(52)26-25-41-40-19-6-10-23-45(40)53(49(41)48)35-14-2-1-3-15-35;1-47(2)41-15-7-3-11-35(41)39-19-20-40-38-14-6-10-18-44(38)51(46(40)45(39)47)34-24-30(28-49)22-32(26-34)31-21-29(27-48)23-33(25-31)50-42-16-8-4-12-36(42)37-13-5-9-17-43(37)50;45-25-27-17-29(21-31(19-27)47-39-13-5-1-9-33(39)34-10-2-6-14-40(34)47)30-18-28(26-46)20-32(22-30)48-41-15-7-3-11-35(41)37-23-38-36-12-4-8-16-43(36)49-44(38)24-42(37)48/h1-34H;2*1-29H;1-30H;3-26H,1-2H3;1-24H
InChIKeyHTDULAQRWZMCAR-UHFFFAOYSA-N
MW4140.92 g/mol
LogP74.20
Rot. Bonds23

About 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 164997432) has the molecular formula C297H176N26S and a molecular weight of 4140.92 g/mol. Its IUPAC name is 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID164997432
Molecular FormulaC297H176N26S
Molecular Weight4140.92 g/mol
Exact Mass4137.43
IUPAC Name3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-c5cc(C#N)cc(-n6c7ccccc7c7ccccc76)c5)c4)c3c21.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C57H34N4.2C50H29N5.C49H30N4.C47H30N4.C44H24N4S/c58-35-37-27-39(31-43(29-37)60-53-24-12-8-20-46(53)47-21-9-13-25-54(47)60)40-28-38(36-59)30-44(32-40)61-55-26-14-10-22-48(55)50-33-52-49(34-56(50)61)45-19-7-11-23-51(45)57(52,41-15-3-1-4-16-41)42-17-5-2-6-18-42;51-30-32-24-34(28-37(26-32)54-44-18-8-4-14-39(44)40-15-5-9-19-45(40)54)35-25-33(31-52)27-38(29-35)55-46-20-10-6-16-41(46)42-22-23-48-49(50(42)55)43-17-7-11-21-47(43)53(48)36-12-2-1-3-13-36;51-30-32-24-34(28-37(26-32)54-43-18-8-4-14-39(43)40-15-5-9-19-44(40)54)35-25-33(31-52)27-38(29-35)55-46-21-11-7-17-42(46)50-48(55)23-22-47-49(50)41-16-6-10-20-45(41)53(47)36-12-2-1-3-13-36;50-31-32-27-34(33-13-12-16-36(29-33)51-43-21-8-4-17-38(43)39-18-5-9-22-44(39)51)30-37(28-32)52-46-24-11-7-20-42(46)48-47(52)26-25-41-40-19-6-10-23-45(40)53(49(41)48)35-14-2-1-3-15-35;1-47(2)41-15-7-3-11-35(41)39-19-20-40-38-14-6-10-18-44(38)51(46(40)45(39)47)34-24-30(28-49)22-32(26-34)31-21-29(27-48)23-33(25-31)50-42-16-8-4-12-36(42)37-13-5-9-17-43(37)50;45-25-27-17-29(21-31(19-27)47-39-13-5-1-9-33(39)34-10-2-6-14-40(34)47)30-18-28(26-46)20-32(22-30)48-41-15-7-3-11-35(41)37-23-38-36-12-4-8-16-43(36)49-44(38)24-42(37)48/h1-34H;2*1-29H;1-30H;3-26H,1-2H3;1-24H
InChIKeyHTDULAQRWZMCAR-UHFFFAOYSA-N
XLogP74.20
TPSA335.64 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004140.92
LogP ≤ 574.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile with MolForge

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Related Compounds

3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 158558993
5-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339793
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 161369579
2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzene-1,3-dicarbonitrile
CID 139339915
11,23-diphenyl-1,11,23-triazanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2(14),3,5,7,9,12,15(33),16,18,20(32),21,24,26,28,30-pentadecaene;12,22-diphenyl-1,12,22-triazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6,8,10,15(33),16,18,20(32),21(29),23,25,27,30-pentadecaene;5,29-dithia-1-azanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6,8,10,12,15(33),16,18,20(32),21,23,25,27,30-pentadecaene;6,28-dithia-1-azanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),7,9,11,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene;11,23-dithia-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2(14),3,5,7,9,12,15(33),16,18,20(32),21,24,26,28,30-pentadecaene;12,22-dithia-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6,8,10,15(33),16,18,20(32),21(29),23,25,27,30-pentadecaene;11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene;12,12,22,22-tetramethyl-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6,8,10,15(33),16,18,20(32),21(29),23,25,27,30-pentadecaene
CID 161212978
3-[4-[3-(14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole
CID 164957440
2-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 160706389
2-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 157162467
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 162077771
11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 161341820

Frequently Asked Questions

What is the IUPAC name of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 164997432) is 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-c5cc(C#N)cc(-n6c7ccccc7c7ccccc76)c5)c4)c3c21.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)cc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is HTDULAQRWZMCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4.2C50H29N5.C49H30N4.C47H30N4.C44H24N4S/c58-35-37-27-39(31-43(29-37)60-53-24-12-8-20-46(53)47-21-9-13-25-54(47)60)40-28-38(36-59)30-44(32-40)61-55-26-14-10-22-48(55)50-33-52-49(34-56(50)61)45-19-7-11-23-51(45)57(52,41-15-3-1-4-16-41)42-17-5-2-6-18-42;51-30-32-24-34(28-37(26-32)54-44-18-8-4-14-39(44)40-15-5-9-19-45(40)54)35-25-33(31-52)27-38(29-35)55-46-20-10-6-16-41(46)42-22-23-48-49(50(42)55)43-17-7-11-21-47(43)53(48)36-12-2-1-3-13-36;51-30-32-24-34(28-37(26-32)54-43-18-8-4-14-39(43)40-15-5-9-19-44(40)54)35-25-33(31-52)27-38(29-35)55-46-21-11-7-17-42(46)50-48(55)23-22-47-49(50)41-16-6-10-20-45(41)53(47)36-12-2-1-3-13-36;50-31-32-27-34(33-13-12-16-36(29-33)51-43-21-8-4-17-38(43)39-18-5-9-22-44(39)51)30-37(28-32)52-46-24-11-7-20-42(46)48-47(52)26-25-41-40-19-6-10-23-45(40)53(49(41)48)35-14-2-1-3-15-35;1-47(2)41-15-7-3-11-35(41)39-19-20-40-38-14-6-10-18-44(38)51(46(40)45(39)47)34-24-30(28-49)22-32(26-34)31-21-29(27-48)23-33(25-31)50-42-16-8-4-12-36(42)37-13-5-9-17-43(37)50;45-25-27-17-29(21-31(19-27)47-39-13-5-1-9-33(39)34-10-2-6-14-40(34)47)30-18-28(26-46)20-32(22-30)48-41-15-7-3-11-35(41)37-23-38-36-12-4-8-16-43(36)49-44(38)24-42(37)48/h1-34H;2*1-29H;1-30H;3-26H,1-2H3;1-24H.
What are the key properties of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 4140.92 g/mol, XLogP of 74.20, 23 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 164997432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).