2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile

C426H246N42S8 — CID 158523637

About 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile

2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile (PubChem CID 158523637) has the molecular formula C426H246N42S8 and a molecular weight of 6209.48 g/mol. Its IUPAC name is 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile
• PubChem CID: 158523637
• Molecular Formula: C426H246N42S8
• Molecular Weight: 6209.48 g/mol
• Exact Mass: 6203.83
• IUPAC Name: 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile
• SMILES: N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)cc1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccc(C#N)cc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)cc1.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccc(C#N)cc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)c1.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)ccn3)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)ccn3)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccnc3-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cnccc3-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/2C55H30N6S.2C54H31N5S.4C52H31N5S/c56-31-33-16-20-48-40(26-33)39-10-1-3-14-47(39)60(48)37-8-5-9-38(30-37)61-49-21-17-34(32-57)27-41(49)42-28-35(18-22-50(42)61)36-19-23-52-46(29-36)55(43-11-2-4-15-51(43)62-52)44-12-6-24-58-53(44)54-45(55)13-7-25-59-54;56-31-33-13-21-48-40(27-33)39-7-1-3-11-47(39)60(48)37-17-19-38(20-18-37)61-49-22-14-34(32-57)28-41(49)42-29-35(15-23-50(42)61)36-16-24-52-46(30-36)55(43-8-2-4-12-51(43)62-52)44-9-5-25-58-53(44)54-45(55)10-6-26-59-54;1-55-35-24-26-48(58-44-18-6-2-12-36(44)37-13-3-7-19-45(37)58)49(32-35)59-46-20-8-4-14-38(46)39-30-33(22-25-47(39)59)34-23-27-51-43(31-34)54(40-15-5-9-21-50(40)60-51)41-16-10-28-56-52(41)53-42(54)17-11-29-57-53;55-32-35-21-24-36(31-49(35)59-46-18-6-1-11-37(46)38-12-2-7-19-47(38)59)58-45-17-5-3-13-39(45)40-29-33(22-25-48(40)58)34-23-26-51-44(30-34)54(41-14-4-8-20-50(41)60-51)42-15-9-27-56-52(42)53-43(54)16-10-28-57-53;1-6-19-43-34(12-1)35-13-2-7-20-44(35)57(43)51-46(21-11-29-55-51)56-42-18-5-3-14-36(42)37-30-32(23-25-45(37)56)33-24-26-48-41(31-33)52(38-15-4-8-22-47(38)58-48)39-16-9-27-53-49(39)50-40(52)17-10-28-54-50;2*1-5-17-43-35(11-1)36-12-2-6-18-44(36)56(43)34-25-28-53-49(31-34)57-45-19-7-3-13-37(45)38-29-32(21-23-46(38)57)33-22-24-48-42(30-33)52(39-14-4-8-20-47(39)58-48)40-15-9-26-54-50(40)51-41(52)16-10-27-55-51;1-5-17-42-34(11-1)35-12-2-6-18-43(35)56(42)46-25-28-53-31-47(46)57-44-19-7-3-13-36(44)37-29-32(21-23-45(37)57)33-22-24-49-41(30-33)52(38-14-4-8-20-48(38)58-49)39-15-9-26-54-50(39)51-40(52)16-10-27-55-51/h2*1-30H;2-32H;1-31H;4*1-31H
• InChIKey: HMNFPEUMWCYZTQ-UHFFFAOYSA-N
• XLogP: 102.81
• TPSA: 459.99 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 24
• Heavy Atoms: 476
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6209.48
LogP ≤ 5	102.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile?

The IUPAC name of 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile (CID 158523637) is 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile.

What is the SMILES notation for 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile?

The canonical SMILES for 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)cc1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccc(C#N)cc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)cc1.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccc(C#N)cc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6S5)c5cccnc5-c5ncccc54)ccc32)c1.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)ccn3)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5ccccc54)ccn3)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccnc3-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21.c1ccc2c(c1)Sc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cnccc3-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21.

What is the InChIKey of 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile?

The InChIKey is HMNFPEUMWCYZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H30N6S.2C54H31N5S.4C52H31N5S/c56-31-33-16-20-48-40(26-33)39-10-1-3-14-47(39)60(48)37-8-5-9-38(30-37)61-49-21-17-34(32-57)27-41(49)42-28-35(18-22-50(42)61)36-19-23-52-46(29-36)55(43-11-2-4-15-51(43)62-52)44-12-6-24-58-53(44)54-45(55)13-7-25-59-54;56-31-33-13-21-48-40(27-33)39-7-1-3-11-47(39)60(48)37-17-19-38(20-18-37)61-49-22-14-34(32-57)28-41(49)42-29-35(15-23-50(42)61)36-16-24-52-46(30-36)55(43-8-2-4-12-51(43)62-52)44-9-5-25-58-53(44)54-45(55)10-6-26-59-54;1-55-35-24-26-48(58-44-18-6-2-12-36(44)37-13-3-7-19-45(37)58)49(32-35)59-46-20-8-4-14-38(46)39-30-33(22-25-47(39)59)34-23-27-51-43(31-34)54(40-15-5-9-21-50(40)60-51)41-16-10-28-56-52(41)53-42(54)17-11-29-57-53;55-32-35-21-24-36(31-49(35)59-46-18-6-1-11-37(46)38-12-2-7-19-47(38)59)58-45-17-5-3-13-39(45)40-29-33(22-25-48(40)58)34-23-26-51-44(30-34)54(41-14-4-8-20-50(41)60-51)42-15-9-27-56-52(42)53-43(54)16-10-28-57-53;1-6-19-43-34(12-1)35-13-2-7-20-44(35)57(43)51-46(21-11-29-55-51)56-42-18-5-3-14-36(42)37-30-32(23-25-45(37)56)33-24-26-48-41(31-33)52(38-15-4-8-22-47(38)58-48)39-16-9-27-53-49(39)50-40(52)17-10-28-54-50;2*1-5-17-43-35(11-1)36-12-2-6-18-44(36)56(43)34-25-28-53-49(31-34)57-45-19-7-3-13-37(45)38-29-32(21-23-46(38)57)33-22-24-48-42(30-33)52(39-14-4-8-20-47(39)58-48)40-15-9-26-54-50(40)51-41(52)16-10-27-55-51;1-5-17-42-34(11-1)35-12-2-6-18-43(35)56(42)46-25-28-53-31-47(46)57-44-19-7-3-13-36(44)37-29-32(21-23-45(37)57)33-22-24-49-41(30-33)52(38-14-4-8-20-48(38)58-49)39-15-9-26-54-50(39)51-40(52)16-10-27-55-51/h2*1-30H;2-32H;1-31H;4*1-31H.

What are the key properties of 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile?

2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile has a molecular weight of 6209.48 g/mol, XLogP of 102.81, 24 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[9-(2-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2'-[9-(2-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];bis(2'-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]);2'-[9-(4-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2-carbazol-9-yl-4-(3-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazol-9-yl)benzonitrile;9-[3-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile;9-[4-(3-cyanocarbazol-9-yl)phenyl]-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 158523637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).