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

C242H134N26O4 — CID 161088553

About 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

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 (PubChem CID 161088553) has the molecular formula C242H134N26O4 and a molecular weight of 3469.91 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161088553
• Molecular Formula: C242H134N26O4
• Molecular Weight: 3469.91 g/mol
• Exact Mass: 3467.11
• IUPAC Name: 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
• SMILES: N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc31)c1cccnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc31)c1cccnc1-2
• InChI: InChI=1S/2C61H33N7O.2C60H34N6O/c1-62-36-21-25-54-44(30-36)45-31-37(63-2)22-26-55(45)68(54)40-34-50-60(65-35-40)59-48(16-11-29-64-59)61(50)47-15-6-10-20-57(47)69-58-28-24-39(33-49(58)61)67-53-19-9-5-14-43(53)46-32-38(23-27-56(46)67)66-51-17-7-3-12-41(51)42-13-4-8-18-52(42)66;62-33-36-19-23-54-44(28-36)45-29-37(34-63)20-24-55(45)66(54)38-21-25-56-46(30-38)43-12-3-7-17-53(43)67(56)39-22-26-58-49(31-39)61(47-13-4-8-18-57(47)69-58)48-14-9-27-64-59(48)60-50(61)32-40(35-65-60)68-51-15-5-1-10-41(51)42-11-2-6-16-52(42)68;1-61-36-24-27-54-44(31-36)42-15-4-10-22-53(42)66(54)39-34-49-59(63-35-39)58-47(18-12-30-62-58)60(49)46-17-6-11-23-56(46)67-57-29-26-38(33-48(57)60)65-52-21-9-5-16-43(52)45-32-37(25-28-55(45)65)64-50-19-7-2-13-40(50)41-14-3-8-20-51(41)64;61-34-36-23-26-54-44(30-36)42-14-3-8-20-52(42)64(54)37-24-27-55-45(31-37)43-15-4-9-21-53(43)65(55)38-25-28-57-48(32-38)60(46-16-5-10-22-56(46)67-57)47-17-11-29-62-58(47)59-49(60)33-39(35-63-59)66-50-18-6-1-12-40(50)41-13-2-7-19-51(41)66/h3-35H;1-32,35H;2-35H;1-33,35H
• InChIKey: UGVYAENWJKIOJW-UHFFFAOYSA-N
• XLogP: 58.21
• TPSA: 283.65 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3469.91
LogP ≤ 5	58.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc31)c1cccnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc31)c1cccnc1-2.

What is the InChIKey of 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?

The InChIKey is UGVYAENWJKIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H33N7O.2C60H34N6O/c1-62-36-21-25-54-44(30-36)45-31-37(63-2)22-26-55(45)68(54)40-34-50-60(65-35-40)59-48(16-11-29-64-59)61(50)47-15-6-10-20-57(47)69-58-28-24-39(33-49(58)61)67-53-19-9-5-14-43(53)46-32-38(23-27-56(46)67)66-51-17-7-3-12-41(51)42-13-4-8-18-52(42)66;62-33-36-19-23-54-44(28-36)45-29-37(34-63)20-24-55(45)66(54)38-21-25-56-46(30-38)43-12-3-7-17-53(43)67(56)39-22-26-58-49(31-39)61(47-13-4-8-18-57(47)69-58)48-14-9-27-64-59(48)60-50(61)32-40(35-65-60)68-51-15-5-1-10-41(51)42-11-2-6-16-52(42)68;1-61-36-24-27-54-44(31-36)42-15-4-10-22-53(42)66(54)39-34-49-59(63-35-39)58-47(18-12-30-62-58)60(49)46-17-6-11-23-56(46)67-57-29-26-38(33-48(57)60)65-52-21-9-5-16-43(52)45-32-37(25-28-55(45)65)64-50-19-7-2-13-40(50)41-14-3-8-20-51(41)64;61-34-36-23-26-54-44(30-36)42-14-3-8-20-52(42)64(54)37-24-27-55-45(31-37)43-15-4-9-21-53(43)65(55)38-25-28-57-48(32-38)60(46-16-5-10-22-56(46)67-57)47-17-11-29-62-58(47)59-49(60)33-39(35-63-59)66-50-18-6-1-12-40(50)41-13-2-7-19-51(41)66/h3-35H;1-32,35H;2-35H;1-33,35H.

What are the key properties of 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?

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 has a molecular weight of 3469.91 g/mol, XLogP of 58.21, 12 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161088553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).