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

C231H126N26O4 — CID 159978503

About 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

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 (PubChem CID 159978503) has the molecular formula C231H126N26O4 and a molecular weight of 3329.73 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159978503
• Molecular Formula: C231H126N26O4
• Molecular Weight: 3329.73 g/mol
• Exact Mass: 3327.05
• IUPAC Name: 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
• SMILES: N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(C#N)ccc76)ccc54)ccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
• InChI: InChI=1S/C85H47N9O.2C49H26N6O.C48H27N5O/c1-87-51-31-38-79-65(41-51)62-21-7-15-29-77(62)94(79)56-44-70-84(89-49-56)83-69(43-55(48-88-83)93-73-25-11-4-18-59(73)60-19-5-12-26-74(60)93)85(70)67-35-32-53(91-71-23-9-2-16-57(71)58-17-3-10-24-72(58)91)45-81(67)95-82-46-54(33-36-68(82)85)92-76-28-14-8-22-63(76)66-42-52(34-39-80(66)92)90-75-27-13-6-20-61(75)64-40-50(47-86)30-37-78(64)90;50-27-29-13-17-42-34(23-29)35-24-30(28-51)14-18-43(35)54(42)31-15-19-44-36(25-31)33-7-1-3-11-41(33)55(44)32-16-20-46-40(26-32)49(37-8-2-4-12-45(37)56-46)38-9-5-21-52-47(38)48-39(49)10-6-22-53-48;50-27-29-13-17-42-34(23-29)33-7-1-3-11-41(33)54(42)31-15-19-44-36(25-31)35-24-30(28-51)14-18-43(35)55(44)32-16-20-46-40(26-32)49(37-8-2-4-12-45(37)56-46)38-9-5-21-52-47(38)48-39(49)10-6-22-53-48;49-28-29-17-20-42-34(25-29)32-9-1-4-14-40(32)52(42)30-18-21-43-35(26-30)33-10-2-5-15-41(33)53(43)31-19-22-45-39(27-31)48(36-11-3-6-16-44(36)54-45)37-12-7-23-50-46(37)47-38(48)13-8-24-51-47/h2-46,48-49H;2*1-26H;1-27H
• InChIKey: OFLSHMAEQRZYJB-UHFFFAOYSA-N
• XLogP: 53.63
• TPSA: 341.37 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3329.73
LogP ≤ 5	53.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(C#N)ccc76)ccc54)ccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.

What is the InChIKey of 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?

The InChIKey is OFLSHMAEQRZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H47N9O.2C49H26N6O.C48H27N5O/c1-87-51-31-38-79-65(41-51)62-21-7-15-29-77(62)94(79)56-44-70-84(89-49-56)83-69(43-55(48-88-83)93-73-25-11-4-18-59(73)60-19-5-12-26-74(60)93)85(70)67-35-32-53(91-71-23-9-2-16-57(71)58-17-3-10-24-72(58)91)45-81(67)95-82-46-54(33-36-68(82)85)92-76-28-14-8-22-63(76)66-42-52(34-39-80(66)92)90-75-27-13-6-20-61(75)64-40-50(47-86)30-37-78(64)90;50-27-29-13-17-42-34(23-29)35-24-30(28-51)14-18-43(35)54(42)31-15-19-44-36(25-31)33-7-1-3-11-41(33)55(44)32-16-20-46-40(26-32)49(37-8-2-4-12-45(37)56-46)38-9-5-21-52-47(38)48-39(49)10-6-22-53-48;50-27-29-13-17-42-34(23-29)33-7-1-3-11-41(33)54(42)31-15-19-44-36(25-31)35-24-30(28-51)14-18-43(35)55(44)32-16-20-46-40(26-32)49(37-8-2-4-12-45(37)56-46)38-9-5-21-52-47(38)48-39(49)10-6-22-53-48;49-28-29-17-20-42-34(25-29)32-9-1-4-14-40(32)52(42)30-18-21-43-35(26-30)33-10-2-5-15-41(33)53(43)31-19-22-45-39(27-31)48(36-11-3-6-16-44(36)54-45)37-12-7-23-50-46(37)47-38(48)13-8-24-51-47/h2-46,48-49H;2*1-26H;1-27H.

What are the key properties of 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?

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 has a molecular weight of 3329.73 g/mol, XLogP of 53.63, 11 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159978503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).