9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile

C242H134N26O8 — CID 160680739

About 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile

9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile (PubChem CID 160680739) has the molecular formula C242H134N26O8 and a molecular weight of 3533.91 g/mol. Its IUPAC name is 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
• PubChem CID: 160680739
• Molecular Formula: C242H134N26O8
• Molecular Weight: 3533.91 g/mol
• Exact Mass: 3531.09
• IUPAC Name: 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cc(N3c4ccccc4Oc4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cc(N3c4ccccc4Oc4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Oc5ccccc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Oc5ccccc54)cc31)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)cnc1-2
• InChI: InChI=1S/2C61H33N7O2.2C60H34N6O2/c1-63-37-23-26-52-44(29-37)42-13-3-6-16-50(42)68(52)40-32-48-60(65-35-40)59-47(31-39(34-64-59)67-49-15-5-2-12-41(49)43-28-36(33-62)22-25-51(43)67)61(48)45-14-4-9-19-55(45)69-56-27-24-38(30-46(56)61)66-53-17-7-10-20-57(53)70-58-21-11-8-18-54(58)66;62-32-36-21-24-51-43(27-36)44-28-37(33-63)22-25-52(44)66(51)38-23-26-56-46(29-38)61(45-13-3-8-18-55(45)69-56)47-30-39(67-49-14-4-1-11-41(49)42-12-2-5-15-50(42)67)34-64-59(47)60-48(61)31-40(35-65-60)68-53-16-6-9-19-57(53)70-58-20-10-7-17-54(58)68;61-33-36-25-27-51-43(29-36)42-15-3-7-19-50(42)66(51)39-32-47-59(63-35-39)58-46(31-38(34-62-58)65-48-17-5-1-13-40(48)41-14-2-6-18-49(41)65)60(47)44-16-4-10-22-54(44)67-55-28-26-37(30-45(55)60)64-52-20-8-11-23-56(52)68-57-24-12-9-21-53(57)64;61-33-36-25-27-51-43(29-36)42-15-3-7-19-50(42)64(51)37-26-28-55-45(30-37)60(44-16-4-10-22-54(44)67-55)46-31-38(65-48-17-5-1-13-40(48)41-14-2-6-18-49(41)65)34-62-58(46)59-47(60)32-39(35-63-59)66-52-20-8-11-23-56(52)68-57-24-12-9-21-53(57)66/h2-32,34-35H;1-31,34-35H;2*1-32,34-35H
• InChIKey: ROCMAHRHWPZTKS-UHFFFAOYSA-N
• XLogP: 58.77
• TPSA: 352.67 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3533.91
LogP ≤ 5	58.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?

The IUPAC name of 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile (CID 160680739) is 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?

The canonical SMILES for 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cc(N3c4ccccc4Oc4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3O2)c2cc(N3c4ccccc4Oc4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Oc5ccccc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Oc5ccccc54)cc31)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)cnc1-2.

What is the InChIKey of 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?

The InChIKey is ROCMAHRHWPZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H33N7O2.2C60H34N6O2/c1-63-37-23-26-52-44(29-37)42-13-3-6-16-50(42)68(52)40-32-48-60(65-35-40)59-47(31-39(34-64-59)67-49-15-5-2-12-41(49)43-28-36(33-62)22-25-51(43)67)61(48)45-14-4-9-19-55(45)69-56-27-24-38(30-46(56)61)66-53-17-7-10-20-57(53)70-58-21-11-8-18-54(58)66;62-32-36-21-24-51-43(27-36)44-28-37(33-63)22-25-52(44)66(51)38-23-26-56-46(29-38)61(45-13-3-8-18-55(45)69-56)47-30-39(67-49-14-4-1-11-41(49)42-12-2-5-15-50(42)67)34-64-59(47)60-48(61)31-40(35-65-60)68-53-16-6-9-19-57(53)70-58-20-10-7-17-54(58)68;61-33-36-25-27-51-43(29-36)42-15-3-7-19-50(42)66(51)39-32-47-59(63-35-39)58-46(31-38(34-62-58)65-48-17-5-1-13-40(48)41-14-2-6-18-49(41)65)60(47)44-16-4-10-22-54(44)67-55-28-26-37(30-45(55)60)64-52-20-8-11-23-56(52)68-57-24-12-9-21-53(57)64;61-33-36-25-27-51-43(29-36)42-15-3-7-19-50(42)64(51)37-26-28-55-45(30-37)60(44-16-4-10-22-54(44)67-55)46-31-38(65-48-17-5-1-13-40(48)41-14-2-6-18-49(41)65)34-62-58(46)59-47(60)32-39(35-63-59)66-52-20-8-11-23-56(52)68-57-24-12-9-21-53(57)66/h2-32,34-35H;1-31,34-35H;2*1-32,34-35H.

What are the key properties of 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?

9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile has a molecular weight of 3533.91 g/mol, XLogP of 58.77, 12 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3-carbonitrile;9-(11-carbazol-9-yl-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(5-carbazol-9-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl)carbazole-3,6-dicarbonitrile;9-[11-(3-isocyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 160680739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).