6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile

C85H47N9O — CID 146655934

About 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile

6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile (PubChem CID 146655934) has the molecular formula C85H47N9O and a molecular weight of 1210.37 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile
• PubChem CID: 146655934
• Molecular Formula: C85H47N9O
• Molecular Weight: 1210.37 g/mol
• Exact Mass: 1209.39
• IUPAC Name: 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
• InChI: InChI=1S/C85H47N9O/c86-46-50-29-36-78-64(39-50)63-21-7-14-28-77(63)94(78)56-43-70-84(89-49-56)83-69(42-55(48-88-83)93-75-26-12-5-19-61(75)62-20-6-13-27-76(62)93)85(70)67-34-31-53(91-73-24-10-3-17-59(73)60-18-4-11-25-74(60)91)44-81(67)95-82-45-54(32-35-68(82)85)92-79-37-30-51(47-87)40-65(79)66-41-52(33-38-80(66)92)90-71-22-8-1-15-57(71)58-16-2-9-23-72(58)90/h1-45,48-49H
• InChIKey: QAJUNNVWNITBSD-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 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile?

The IUPAC name of 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile (CID 146655934) is 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile.

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

The canonical SMILES for 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.

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

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

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

6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile 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 6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-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]carbazole-3-carbonitrile is sourced from PubChem (CID 146655934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).