About 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile
5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile (PubChem CID 165097568) has the molecular formula C273H135N33O6
and a molecular weight of 3973.31 g/mol. Its IUPAC name is 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile.
Frequently Asked Questions
What is the IUPAC name of 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile?
The IUPAC name of 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile (CID 165097568) is 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile.
What is the SMILES notation for 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile?
The canonical SMILES for 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)c(C#N)c(C#N)c1-c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(C#N)c(C#N)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(C#N)cc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)c1C#N.[C-]#[N+]c1c(C#N)c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)c(C#N)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(C#N)c(C#N)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(C#N)c1-c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c([N+]#[C-])c1.
What is the InChIKey of 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile?
The InChIKey is XTQBJFFCVYXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H22N6O.3C45H23N5O/c1-49-36-24-30(51-38-15-7-5-13-33(38)34-19-20-42-44(46(34)51)35-14-6-10-18-41(35)53-42)22-28(25-47)43(36)27-21-29(26-48)45(37(23-27)50-2)52-39-16-8-3-11-31(39)32-12-4-9-17-40(32)52;1-50-45-35(26-49)46(52-38-16-8-4-12-31(38)43-39(52)22-23-41-44(43)32-13-5-9-17-40(32)53-41)34(25-48)33(24-47)42(45)27-18-20-28(21-19-27)51-36-14-6-2-10-29(36)30-11-3-7-15-37(30)51;47-23-27-22-43(52-38-13-5-1-9-30(38)31-10-2-6-14-39(31)52)28(24-48)21-35(27)29-17-19-41(37(26-50)36(29)25-49)51-40-15-7-3-12-34(40)45-42(51)20-18-33-32-11-4-8-16-44(32)53-46(33)45;1-48-37-24-42(50-40-16-8-4-12-31(40)33-23-44-34(22-41(33)50)32-13-5-9-17-43(32)51-44)35(25-46)36(26-47)45(37)27-18-20-28(21-19-27)49-38-14-6-2-10-29(38)30-11-3-7-15-39(30)49;46-24-28-21-41(50-39-14-6-1-9-30(39)31-10-2-7-15-40(31)50)36(25-47)37(26-48)45(28)27-17-19-29(20-18-27)49-38-13-5-3-11-32(38)34-22-35-33-12-4-8-16-43(33)51-44(35)23-42(34)49;46-24-28-23-41(50-39-14-6-1-9-30(39)31-10-2-7-15-40(31)50)36(25-47)37(26-48)43(28)27-17-19-29(20-18-27)49-38-13-5-3-11-32(38)34-21-22-35-33-12-4-8-16-42(33)51-45(35)44(34)49/h3-24H;2-23H;1-22H;2-24H;2*1-23H.
What are the key properties of 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile?
5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile has a molecular weight of 3973.31 g/mol, XLogP of 68.70, 18 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-cyano-6-isocyanophenyl]-2-carbazol-9-yl-3-isocyanobenzonitrile;3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;6-([1]benzofuro[3,2-b]carbazol-11-yl)-3-(4-carbazol-9-ylphenyl)-4-isocyanobenzene-1,2-dicarbonitrile;3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-carbazol-9-ylbenzene-1,2,4-tricarbonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile;6-(4-carbazol-9-ylphenyl)-5-isocyano-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,2,4-tricarbonitrile is sourced from PubChem (CID 165097568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).