9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile

C85H47N9O — CID 146655624

About 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile

9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile (PubChem CID 146655624) has the molecular formula C85H47N9O and a molecular weight of 1210.37 g/mol. Its IUPAC name is 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile
• PubChem CID: 146655624
• Molecular Formula: C85H47N9O
• Molecular Weight: 1210.37 g/mol
• Exact Mass: 1209.39
• IUPAC Name: 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C85H47N9O/c86-46-50-29-34-78-64(39-50)65-40-51(47-87)30-35-79(65)92(78)54-33-38-82-68(43-54)85(67-42-53(32-37-81(67)95-82)91-77-28-14-7-21-63(77)66-41-52(31-36-80(66)91)90-71-22-8-1-15-57(71)58-16-2-9-23-72(58)90)69-44-55(93-73-24-10-3-17-59(73)60-18-4-11-25-74(60)93)48-88-83(69)84-70(85)45-56(49-89-84)94-75-26-12-5-19-61(75)62-20-6-13-27-76(62)94/h1-45,48-49H
• InChIKey: MNJFENFPPMDBIP-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 107.24 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.37
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile (CID 146655624) is 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile.

What is the SMILES notation for 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile?

The canonical SMILES for 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile?

The InChIKey is MNJFENFPPMDBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H47N9O/c86-46-50-29-34-78-64(39-50)65-40-51(47-87)30-35-79(65)92(78)54-33-38-82-68(43-54)85(67-42-53(32-37-81(67)95-82)91-77-28-14-7-21-63(77)66-41-52(31-36-80(66)91)90-71-22-8-1-15-57(71)58-16-2-9-23-72(58)90)69-44-55(93-73-24-10-3-17-59(73)60-18-4-11-25-74(60)93)48-88-83(69)84-70(85)45-56(49-89-84)94-75-26-12-5-19-61(75)62-20-6-13-27-76(62)94/h1-45,48-49H.

What are the key properties of 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile?

9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 1210.37 g/mol, XLogP of 20.17, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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'-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 146655624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).