9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile

C263H137N39O6 — CID 159054102

IUPAC9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3cnc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccnc3-4)c2cn1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.N#Cc1ccc2c(c1)c1cc(C#N)ncc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cccnc1-2.N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccc(C#N)cc4c4cc(C#N)ncc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccc(C#N)cc4c4ccncc43)cnc1-2
InChIInChI=1S/C49H24N8O.2C48H25N7O.C47H26N6O.C36H18N6O.C35H19N5O/c1-52-29-15-17-43-35(19-29)33-8-2-5-11-41(33)56(43)31-21-39-47(54-25-31)48-40(49(39)37-9-3-6-12-45(37)58-46-13-7-4-10-38(46)49)22-32(26-55-48)57-42-16-14-28(23-50)18-34(42)36-20-30(24-51)53-27-44(36)57;1-50-29-15-17-42-35(21-29)32-8-2-5-11-40(32)54(42)30-22-38-46(52-25-30)47-39(48(38)36-9-3-6-12-44(36)56-45-13-7-4-10-37(45)48)23-31(26-53-47)55-41-16-14-28(24-49)20-34(41)33-18-19-51-27-43(33)55;49-23-28-13-15-41-34(19-28)35-20-29(24-50)14-16-42(35)54(41)30-21-38-46(52-25-30)47-39(48(38)36-8-2-5-11-44(36)56-45-12-6-3-9-37(45)48)22-31(26-53-47)55-40-10-4-1-7-32(40)33-17-18-51-27-43(33)55;48-24-28-17-18-41-34(21-28)32-10-2-6-14-40(32)52(41)29-22-37-45(50-25-29)46-38(47(37)35-11-3-7-15-43(35)54-44-16-8-4-12-36(44)47)23-30(26-51-46)53-39-13-5-1-9-31(39)33-19-20-49-27-42(33)53;37-17-21-11-12-30-24(14-21)25-15-22(18-38)40-20-31(25)42(30)23-16-29-35(41-19-23)34-28(8-5-13-39-34)36(29)26-6-1-3-9-32(26)43-33-10-4-2-7-27(33)36;36-18-21-16-24-23-8-1-4-12-29(23)40(30(24)20-38-21)22-17-28-34(39-19-22)33-27(11-7-15-37-33)35(28)25-9-2-5-13-31(25)41-32-14-6-3-10-26(32)35/h2-22,25-27H;2-23,25-27H;1-22,25-27H;1-23,25-27H;1-16,19-20H;1-17,19-20H
InChIKeyJXQIFKLRZMUQTP-UHFFFAOYSA-N
MW3939.26 g/mol
LogP56.96
Rot. Bonds10

About 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile

9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile (PubChem CID 159054102) has the molecular formula C263H137N39O6 and a molecular weight of 3939.26 g/mol. Its IUPAC name is 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile
PubChem CID159054102
Molecular FormulaC263H137N39O6
Molecular Weight3939.26 g/mol
Exact Mass3936.16
IUPAC Name9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3cnc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccnc3-4)c2cn1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.N#Cc1ccc2c(c1)c1cc(C#N)ncc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cccnc1-2.N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccc(C#N)cc4c4cc(C#N)ncc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccc(C#N)cc4c4ccncc43)cnc1-2
InChIInChI=1S/C49H24N8O.2C48H25N7O.C47H26N6O.C36H18N6O.C35H19N5O/c1-52-29-15-17-43-35(19-29)33-8-2-5-11-41(33)56(43)31-21-39-47(54-25-31)48-40(49(39)37-9-3-6-12-45(37)58-46-13-7-4-10-38(46)49)22-32(26-55-48)57-42-16-14-28(23-50)18-34(42)36-20-30(24-51)53-27-44(36)57;1-50-29-15-17-42-35(21-29)32-8-2-5-11-40(32)54(42)30-22-38-46(52-25-30)47-39(48(38)36-9-3-6-12-44(36)56-45-13-7-4-10-37(45)48)23-31(26-53-47)55-41-16-14-28(24-49)20-34(41)33-18-19-51-27-43(33)55;49-23-28-13-15-41-34(19-28)35-20-29(24-50)14-16-42(35)54(41)30-21-38-46(52-25-30)47-39(48(38)36-8-2-5-11-44(36)56-45-12-6-3-9-37(45)48)22-31(26-53-47)55-40-10-4-1-7-32(40)33-17-18-51-27-43(33)55;48-24-28-17-18-41-34(21-28)32-10-2-6-14-40(32)52(41)29-22-37-45(50-25-29)46-38(47(37)35-11-3-7-15-43(35)54-44-16-8-4-12-36(44)47)23-30(26-51-46)53-39-13-5-1-9-31(39)33-19-20-49-27-42(33)53;37-17-21-11-12-30-24(14-21)25-15-22(18-38)40-20-31(25)42(30)23-16-29-35(41-19-23)34-28(8-5-13-39-34)36(29)26-6-1-3-9-32(26)43-33-10-4-2-7-27(33)36;36-18-21-16-24-23-8-1-4-12-29(23)40(30(24)20-38-21)22-17-28-34(39-19-22)33-27(11-7-15-37-33)35(28)25-9-2-5-13-31(25)41-32-14-6-3-10-26(32)35/h2-22,25-27H;2-23,25-27H;1-22,25-27H;1-23,25-27H;1-16,19-20H;1-17,19-20H
InChIKeyJXQIFKLRZMUQTP-UHFFFAOYSA-N
XLogP56.96
TPSA559.53 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds10
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003939.26
LogP ≤ 556.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile with MolForge

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Related Compounds

2'-(3-carbazol-9-ylcarbazol-9-yl)-5-(3,6-diisocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];2'-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 161088553
6-(3-cyanocarbazol-9-yl)-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazole-3-carbonitrile;9-[9-[5,6'-di(carbazol-9-yl)-11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-3-yl)carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-3-yl)carbazole-3,6-dicarbonitrile
CID 159978503
5,11-di(carbazol-9-yl)-1'-(3-isocyanocarbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];9-[9-[5,11-di(carbazol-9-yl)-8'-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile;9-(9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylpyrido[3,4-b]indol-6-yl)carbazole-3-carbonitrile;1',5,11-tri(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 161089097
9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile
CID 146656013
9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylcarbazole-3-carbonitrile
CID 146655017
9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile
CID 146655387
9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
CID 160680739
9-(4'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile
CID 146655383
9-(11-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile
CID 146655314
4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile
CID 158995169
3-(6-cyanopyrido[3,4-b]indol-9-yl)-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylpyrido[3,4-b]indole-6-carbonitrile
CID 146655753
8-[5-(3-cyanocarbazol-9-yl)-11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile
CID 146655386

Frequently Asked Questions

What is the IUPAC name of 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile?
The IUPAC name of 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile (CID 159054102) is 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile?
The canonical SMILES for 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile is N#Cc1cc2c3ccccc3n(-c3cnc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccnc3-4)c2cn1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.N#Cc1ccc2c(c1)c1cc(C#N)ncc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cccnc1-2.N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccc(C#N)cc4c4cc(C#N)ncc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccc(C#N)cc4c4ccncc43)cnc1-2.
What is the InChIKey of 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile?
The InChIKey is JXQIFKLRZMUQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H24N8O.2C48H25N7O.C47H26N6O.C36H18N6O.C35H19N5O/c1-52-29-15-17-43-35(19-29)33-8-2-5-11-41(33)56(43)31-21-39-47(54-25-31)48-40(49(39)37-9-3-6-12-45(37)58-46-13-7-4-10-38(46)49)22-32(26-55-48)57-42-16-14-28(23-50)18-34(42)36-20-30(24-51)53-27-44(36)57;1-50-29-15-17-42-35(21-29)32-8-2-5-11-40(32)54(42)30-22-38-46(52-25-30)47-39(48(38)36-9-3-6-12-44(36)56-45-13-7-4-10-37(45)48)23-31(26-53-47)55-41-16-14-28(24-49)20-34(41)33-18-19-51-27-43(33)55;49-23-28-13-15-41-34(19-28)35-20-29(24-50)14-16-42(35)54(41)30-21-38-46(52-25-30)47-39(48(38)36-8-2-5-11-44(36)56-45-12-6-3-9-37(45)48)22-31(26-53-47)55-40-10-4-1-7-32(40)33-17-18-51-27-43(33)55;48-24-28-17-18-41-34(21-28)32-10-2-6-14-40(32)52(41)29-22-37-45(50-25-29)46-38(47(37)35-11-3-7-15-43(35)54-44-16-8-4-12-36(44)47)23-30(26-51-46)53-39-13-5-1-9-31(39)33-19-20-49-27-42(33)53;37-17-21-11-12-30-24(14-21)25-15-22(18-38)40-20-31(25)42(30)23-16-29-35(41-19-23)34-28(8-5-13-39-34)36(29)26-6-1-3-9-32(26)43-33-10-4-2-7-27(33)36;36-18-21-16-24-23-8-1-4-12-29(23)40(30(24)20-38-21)22-17-28-34(39-19-22)33-27(11-7-15-37-33)35(28)25-9-2-5-13-31(25)41-32-14-6-3-10-26(32)35/h2-22,25-27H;2-23,25-27H;1-22,25-27H;1-23,25-27H;1-16,19-20H;1-17,19-20H.
What are the key properties of 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile?
9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile has a molecular weight of 3939.26 g/mol, XLogP of 56.96, 10 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile is sourced from PubChem (CID 159054102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).