3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile

C426H239N41O7 — CID 159962571

About 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile

3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 159962571) has the molecular formula C426H239N41O7 and a molecular weight of 6043.88 g/mol. Its IUPAC name is 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile
• PubChem CID: 159962571
• Molecular Formula: C426H239N41O7
• Molecular Weight: 6043.88 g/mol
• Exact Mass: 6038.96
• IUPAC Name: 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)c6cc(C#N)ccc6n7-c6ccccc6)ccc5O4)c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3c(-c5ccc6c(c5)c5cc([N+]#[C-])ccc5n6-c5ccccc5)cccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)c5cc([N+]#[C-])ccc5n6-c5ccccc5)ccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3ccc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)cc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3Oc3c(-c5ccc6c(c5)c5cc([N+]#[C-])ccc5n6-c5ccccc5)cccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3Oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3Oc3ccc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)cc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1
• InChI: InChI=1S/6C61H34N6O.C60H35N5O/c1-62-39-25-29-55-47(35-39)45-33-37(23-27-53(45)66(55)41-13-5-3-6-14-41)43-17-9-19-51-59(43)68-60-44(18-10-20-52(60)61(51)49-21-11-31-64-57(49)58-50(61)22-12-32-65-58)38-24-28-54-46(34-38)48-36-40(63-2)26-30-56(48)67(54)42-15-7-4-8-16-42;1-62-40-23-28-55-47(35-40)45-32-37(21-26-53(45)66(55)42-12-5-3-6-13-42)38-20-25-49-57(34-38)68-60-44(16-9-17-52(60)61(49)50-18-10-30-64-58(50)59-51(61)19-11-31-65-59)39-22-27-54-46(33-39)48-36-41(63-2)24-29-56(48)67(54)43-14-7-4-8-15-43;1-62-41-21-27-55-47(35-41)45-31-37(19-25-53(45)66(55)43-11-5-3-6-12-43)39-17-23-49-57(33-39)68-58-34-40(18-24-50(58)61(49)51-15-9-29-64-59(51)60-52(61)16-10-30-65-60)38-20-26-54-46(32-38)48-36-42(63-2)22-28-56(48)67(54)44-13-7-4-8-14-44;1-63-41-23-27-56-48(35-41)47-33-40(21-26-55(47)67(56)43-13-6-3-7-14-43)44-15-8-16-51-60(44)68-57-28-22-39(34-52(57)61(51)49-17-9-29-64-58(49)59-50(61)18-10-30-65-59)38-20-25-54-46(32-38)45-31-37(36-62)19-24-53(45)66(54)42-11-4-2-5-12-42;1-63-42-21-26-56-48(35-42)47-32-39(19-25-55(47)67(56)44-12-6-3-7-13-44)41-17-22-49-58(34-41)68-57-27-20-40(33-52(57)61(49)50-14-8-28-64-59(50)60-51(61)15-9-29-65-60)38-18-24-54-46(31-38)45-30-37(36-62)16-23-53(45)66(54)43-10-4-2-5-11-43;62-35-37-15-21-53-45(29-37)47-31-39(17-23-55(47)66(53)43-9-3-1-4-10-43)41-19-25-57-51(33-41)61(49-13-7-27-64-59(49)60-50(61)14-8-28-65-60)52-34-42(20-26-58(52)68-57)40-18-24-56-48(32-40)46-30-38(36-63)16-22-54(46)67(56)44-11-5-2-6-12-44;1-61-40-26-30-55-47(36-40)46-34-39(25-29-54(46)65(55)42-15-6-3-7-16-42)43-18-10-19-51-59(43)66-56-35-38(23-27-48(56)60(51)49-20-11-31-62-57(49)58-50(60)21-12-32-63-58)37-24-28-53-45(33-37)44-17-8-9-22-52(44)64(53)41-13-4-2-5-14-41/h3*3-36H;2*2-35H;1-34H;2-36H
• InChIKey: ODNDTCKFGUDAIA-UHFFFAOYSA-N
• XLogP: 105.76
• TPSA: 448.49 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 474
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6043.88
LogP ≤ 5	105.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?

The IUPAC name of 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile (CID 159962571) is 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile.

What is the SMILES notation for 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?

The canonical SMILES for 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)c6cc(C#N)ccc6n7-c6ccccc6)ccc5O4)c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3c(-c5ccc6c(c5)c5cc([N+]#[C-])ccc5n6-c5ccccc5)cccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)c5cc([N+]#[C-])ccc5n6-c5ccccc5)ccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3ccc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)cc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3Oc3c(-c5ccc6c(c5)c5cc([N+]#[C-])ccc5n6-c5ccccc5)cccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3Oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc4c3Oc3ccc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)cc3C43c4cccnc4-c4ncccc43)ccc1n2-c1ccccc1.

What is the InChIKey of 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?

The InChIKey is ODNDTCKFGUDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/6C61H34N6O.C60H35N5O/c1-62-39-25-29-55-47(35-39)45-33-37(23-27-53(45)66(55)41-13-5-3-6-14-41)43-17-9-19-51-59(43)68-60-44(18-10-20-52(60)61(51)49-21-11-31-64-57(49)58-50(61)22-12-32-65-58)38-24-28-54-46(34-38)48-36-40(63-2)26-30-56(48)67(54)42-15-7-4-8-16-42;1-62-40-23-28-55-47(35-40)45-32-37(21-26-53(45)66(55)42-12-5-3-6-13-42)38-20-25-49-57(34-38)68-60-44(16-9-17-52(60)61(49)50-18-10-30-64-58(50)59-51(61)19-11-31-65-59)39-22-27-54-46(33-39)48-36-41(63-2)24-29-56(48)67(54)43-14-7-4-8-15-43;1-62-41-21-27-55-47(35-41)45-31-37(19-25-53(45)66(55)43-11-5-3-6-12-43)39-17-23-49-57(33-39)68-58-34-40(18-24-50(58)61(49)51-15-9-29-64-59(51)60-52(61)16-10-30-65-60)38-20-26-54-46(32-38)48-36-42(63-2)22-28-56(48)67(54)44-13-7-4-8-14-44;1-63-41-23-27-56-48(35-41)47-33-40(21-26-55(47)67(56)43-13-6-3-7-14-43)44-15-8-16-51-60(44)68-57-28-22-39(34-52(57)61(51)49-17-9-29-64-58(49)59-50(61)18-10-30-65-59)38-20-25-54-46(32-38)45-31-37(36-62)19-24-53(45)66(54)42-11-4-2-5-12-42;1-63-42-21-26-56-48(35-42)47-32-39(19-25-55(47)67(56)44-12-6-3-7-13-44)41-17-22-49-58(34-41)68-57-27-20-40(33-52(57)61(49)50-14-8-28-64-59(50)60-51(61)15-9-29-65-60)38-18-24-54-46(31-38)45-30-37(36-62)16-23-53(45)66(54)43-10-4-2-5-11-43;62-35-37-15-21-53-45(29-37)47-31-39(17-23-55(47)66(53)43-9-3-1-4-10-43)41-19-25-57-51(33-41)61(49-13-7-27-64-59(49)60-50(61)14-8-28-65-60)52-34-42(20-26-58(52)68-57)40-18-24-56-48(32-40)46-30-38(36-63)16-22-54(46)67(56)44-11-5-2-6-12-44;1-61-40-26-30-55-47(36-40)46-34-39(25-29-54(46)65(55)42-15-6-3-7-16-42)43-18-10-19-51-59(43)66-56-35-38(23-27-48(56)60(51)49-20-11-31-62-57(49)58-50(60)21-12-32-63-58)37-24-28-53-45(33-37)44-17-8-9-22-52(44)64(53)41-13-4-2-5-14-41/h3*3-36H;2*2-35H;1-34H;2-36H.

What are the key properties of 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile?

3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 6043.88 g/mol, XLogP of 105.76, 28 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3',6'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4',5'-bis(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[7'-(6-cyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;5'-(6-isocyano-9-phenylcarbazol-3-yl)-3'-(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];6-[5'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile;6-[6'-(6-isocyano-9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 159962571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).