About 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile
3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile (PubChem CID 159565462) has the molecular formula C302H168N32S5
and a molecular weight of 4405.22 g/mol. Its IUPAC name is 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile?
The IUPAC name of 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile (CID 159565462) is 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile?
The canonical SMILES for 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc2c(c1)Sc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Sc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(C#N)ccc65)ccc43)ccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Sc3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc31)c1cccnc1-2.
What is the InChIKey of 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile?
The InChIKey is MHDIJEAIIVXUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H33N7S.3C60H34N6S/c1-62-36-19-26-54-44(31-36)45-32-37(63-2)20-27-55(45)68(54)40-22-25-48-58(35-40)69-57-34-39(21-24-47(57)61(48)49-14-9-29-64-59(49)60-50(61)15-10-30-65-60)67-53-18-8-5-13-43(53)46-33-38(23-28-56(46)67)66-51-16-6-3-11-41(51)42-12-4-7-17-52(42)66;1-63-37-19-26-55-45(31-37)42-11-3-6-16-52(42)67(55)39-20-23-47-57(33-39)69-58-34-40(21-24-48(58)61(47)49-13-8-28-64-59(49)60-50(61)14-9-29-65-60)68-53-17-7-4-12-43(53)46-32-38(22-27-56(46)68)66-51-15-5-2-10-41(51)44-30-36(35-62)18-25-54(44)66;1-61-36-24-28-54-44(31-36)42-15-4-10-22-53(42)66(54)39-33-49-59(63-35-39)58-48(18-12-30-62-58)60(49)46-17-6-11-23-56(46)67-57-34-38(25-27-47(57)60)65-52-21-9-5-16-43(52)45-32-37(26-29-55(45)65)64-50-19-7-2-13-40(50)41-14-3-8-20-51(41)64;61-34-36-23-27-54-44(30-36)42-14-3-8-20-52(42)64(54)37-25-28-55-45(31-37)43-15-4-9-21-53(43)65(55)38-24-26-47-57(33-38)67-56-22-10-5-16-46(56)60(47)48-17-11-29-62-58(48)59-49(60)32-39(35-63-59)66-50-18-6-1-12-40(50)41-13-2-7-19-51(41)66;61-34-36-23-27-54-44(30-36)45-31-37(64-50-18-6-1-12-40(50)41-13-2-7-19-51(41)64)25-28-55(45)65(54)38-24-26-47-57(33-38)67-56-22-10-5-16-46(56)60(47)48-17-11-29-62-58(48)59-49(60)32-39(35-63-59)66-52-20-8-3-14-42(52)43-15-4-9-21-53(43)66/h3-35H;2-34H;2-35H;2*1-33,35H.
What are the key properties of 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile?
3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile has a molecular weight of 4405.22 g/mol, XLogP of 74.80, 15 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3-carbazol-9-ylcarbazol-9-yl)-6'-(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'-thioxanthene];3'-(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'-thioxanthene];6-carbazol-9-yl-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'-thioxanthene]-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'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[6'-(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'-thioxanthene]-3'-yl]carbazol-3-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 159565462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).