4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile

C294H167N29O3S — CID 157169829

IUPAC4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cc(C#N)c(C#N)cc5-n5c6ccccc6c6ccccc65)c4cc21)c1ccccc1n3-c1ccccc1.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)cc(C#N)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccccc3c3ccccc32)c1-n1c2cc3c(cc2c2cc4c(cc21)sc1ccccc14)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C53H33N5.3C50H27N5O.C47H28N4S.C44H25N5/c1-53(2)43-28-49-41(37-18-8-10-20-45(37)56(49)34-14-4-3-5-15-34)26-39(43)40-27-42-38-19-9-13-23-48(38)58(50(42)29-44(40)53)52-25-33(31-55)32(30-54)24-51(52)57-46-21-11-6-16-35(46)36-17-7-12-22-47(36)57;1-52-31-27-30(29-51)48(55-39-19-9-5-15-33(39)34-16-6-10-20-40(34)55)45(28-31)54-42-22-12-8-18-38(42)47-44(54)26-24-36-35-23-25-43-46(49(35)56-50(36)47)37-17-7-11-21-41(37)53(43)32-13-3-2-4-14-32;1-52-39-28-32(27-30(29-51)48(39)55-40-19-9-5-15-33(40)34-16-6-10-20-41(34)55)54-43-22-12-8-18-38(43)47-45(54)26-24-36-35-23-25-44-46(49(35)56-50(36)47)37-17-7-11-21-42(37)53(44)31-13-3-2-4-14-31;1-52-38-28-45(30(29-51)27-46(38)54-39-19-9-5-15-32(39)33-16-6-10-20-40(33)54)55-42-22-12-8-18-37(42)48-44(55)26-24-35-34-23-25-43-47(49(34)56-50(35)48)36-17-7-11-21-41(36)53(43)31-13-3-2-4-14-31;1-47(2)36-16-8-4-12-28(36)32-22-33-34-23-35-31-15-7-11-19-44(31)52-45(35)25-42(34)51(41(33)24-37(32)47)46-38(49-3)20-27(26-48)21-43(46)50-39-17-9-5-13-29(39)30-14-6-10-18-40(30)50;1-46-36-23-24-41(35(27-45)44(36)49-39-21-11-5-15-29(39)30-16-6-12-22-40(30)49)48-38-20-10-8-18-32(38)34-25-42-33(26-43(34)48)31-17-7-9-19-37(31)47(42)28-13-3-2-4-14-28/h3-29H,1-2H3;3*2-28H;4-25H,1-2H3;2-26H
InChIKeyANIIOVJTYRGTSG-UHFFFAOYSA-N
MW4185.84 g/mol
LogP77.30
Rot. Bonds17

About 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile

4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile (PubChem CID 157169829) has the molecular formula C294H167N29O3S and a molecular weight of 4185.84 g/mol. Its IUPAC name is 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
PubChem CID157169829
Molecular FormulaC294H167N29O3S
Molecular Weight4185.84 g/mol
Exact Mass4182.35
IUPAC Name4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cc(C#N)c(C#N)cc5-n5c6ccccc6c6ccccc65)c4cc21)c1ccccc1n3-c1ccccc1.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)cc(C#N)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccccc3c3ccccc32)c1-n1c2cc3c(cc2c2cc4c(cc21)sc1ccccc14)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C53H33N5.3C50H27N5O.C47H28N4S.C44H25N5/c1-53(2)43-28-49-41(37-18-8-10-20-45(37)56(49)34-14-4-3-5-15-34)26-39(43)40-27-42-38-19-9-13-23-48(38)58(50(42)29-44(40)53)52-25-33(31-55)32(30-54)24-51(52)57-46-21-11-6-16-35(46)36-17-7-12-22-47(36)57;1-52-31-27-30(29-51)48(55-39-19-9-5-15-33(39)34-16-6-10-20-40(34)55)45(28-31)54-42-22-12-8-18-38(42)47-44(54)26-24-36-35-23-25-43-46(49(35)56-50(36)47)37-17-7-11-21-41(37)53(43)32-13-3-2-4-14-32;1-52-39-28-32(27-30(29-51)48(39)55-40-19-9-5-15-33(40)34-16-6-10-20-41(34)55)54-43-22-12-8-18-38(43)47-45(54)26-24-36-35-23-25-44-46(49(35)56-50(36)47)37-17-7-11-21-42(37)53(44)31-13-3-2-4-14-31;1-52-38-28-45(30(29-51)27-46(38)54-39-19-9-5-15-32(39)33-16-6-10-20-40(33)54)55-42-22-12-8-18-37(42)48-44(55)26-24-35-34-23-25-43-47(49(34)56-50(35)48)36-17-7-11-21-41(36)53(43)31-13-3-2-4-14-31;1-47(2)36-16-8-4-12-28(36)32-22-33-34-23-35-31-15-7-11-19-44(31)52-45(35)25-42(34)51(41(33)24-37(32)47)46-38(49-3)20-27(26-48)21-43(46)50-39-17-9-5-13-29(39)30-14-6-10-18-40(30)50;1-46-36-23-24-41(35(27-45)44(36)49-39-21-11-5-15-29(39)30-16-6-12-22-40(30)49)48-38-20-10-8-18-32(38)34-25-42-33(26-43(34)48)31-17-7-9-19-37(31)47(42)28-13-3-2-4-14-28/h3-29H,1-2H3;3*2-28H;4-25H,1-2H3;2-26H
InChIKeyANIIOVJTYRGTSG-UHFFFAOYSA-N
XLogP77.30
TPSA311.56 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004185.84
LogP ≤ 577.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile with MolForge

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Related Compounds

5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 161256880
2-carbazol-9-yl-5-(19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-4-isocyanobenzonitrile
CID 153462626
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 162051452
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile;3-carbazol-9-yl-4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 158521766
3-carbazol-9-yl-5-isocyano-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)benzonitrile
CID 153462312
2-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)-4-isocyanobenzonitrile
CID 153461865
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 146602380
9-[8-([1]benzofuro[3,2-c]carbazol-5-yl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzothiophen-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 158260118
2-(2-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile
CID 153462041
2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-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)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163525867
2-(10-carbazol-9-yl-[1]benzothiolo[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile
CID 153462633
2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 157495646

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?
The IUPAC name of 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile (CID 157169829) is 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cc(C#N)c(C#N)cc5-n5c6ccccc6c6ccccc65)c4cc21)c1ccccc1n3-c1ccccc1.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c(C#N)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)cc(C#N)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccccc5)c4ccc32)c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccccc3c3ccccc32)c1-n1c2cc3c(cc2c2cc4c(cc21)sc1ccccc14)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?
The InChIKey is ANIIOVJTYRGTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5.3C50H27N5O.C47H28N4S.C44H25N5/c1-53(2)43-28-49-41(37-18-8-10-20-45(37)56(49)34-14-4-3-5-15-34)26-39(43)40-27-42-38-19-9-13-23-48(38)58(50(42)29-44(40)53)52-25-33(31-55)32(30-54)24-51(52)57-46-21-11-6-16-35(46)36-17-7-12-22-47(36)57;1-52-31-27-30(29-51)48(55-39-19-9-5-15-33(39)34-16-6-10-20-40(34)55)45(28-31)54-42-22-12-8-18-38(42)47-44(54)26-24-36-35-23-25-43-46(49(35)56-50(36)47)37-17-7-11-21-41(37)53(43)32-13-3-2-4-14-32;1-52-39-28-32(27-30(29-51)48(39)55-40-19-9-5-15-33(40)34-16-6-10-20-41(34)55)54-43-22-12-8-18-38(43)47-45(54)26-24-36-35-23-25-44-46(49(35)56-50(36)47)37-17-7-11-21-42(37)53(44)31-13-3-2-4-14-31;1-52-38-28-45(30(29-51)27-46(38)54-39-19-9-5-15-32(39)33-16-6-10-20-40(33)54)55-42-22-12-8-18-37(42)48-44(55)26-24-35-34-23-25-43-47(49(34)56-50(35)48)36-17-7-11-21-41(36)53(43)31-13-3-2-4-14-31;1-47(2)36-16-8-4-12-28(36)32-22-33-34-23-35-31-15-7-11-19-44(31)52-45(35)25-42(34)51(41(33)24-37(32)47)46-38(49-3)20-27(26-48)21-43(46)50-39-17-9-5-13-29(39)30-14-6-10-18-40(30)50;1-46-36-23-24-41(35(27-45)44(36)49-39-21-11-5-15-29(39)30-16-6-12-22-40(30)49)48-38-20-10-8-18-32(38)34-25-42-33(26-43(34)48)31-17-7-9-19-37(31)47(42)28-13-3-2-4-14-28/h3-29H,1-2H3;3*2-28H;4-25H,1-2H3;2-26H.
What are the key properties of 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?
4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile has a molecular weight of 4185.84 g/mol, XLogP of 77.30, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile is sourced from PubChem (CID 157169829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).