10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile

C85H47N9O2 — CID 146654551

About 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile

10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile (PubChem CID 146654551) has the molecular formula C85H47N9O2 and a molecular weight of 1226.37 g/mol. Its IUPAC name is 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile.

Molecular Properties

• Compound Name: 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile
• PubChem CID: 146654551
• Molecular Formula: C85H47N9O2
• Molecular Weight: 1226.37 g/mol
• Exact Mass: 1225.39
• IUPAC Name: 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4cc(C#N)ccc43)cc21
• InChI: InChI=1S/C85H47N9O2/c86-46-50-29-36-75-63(39-50)61-19-5-12-26-74(61)94(75)56-43-68-84(89-49-56)83-67(42-55(48-88-83)93-71-23-9-3-17-59(71)60-18-4-10-24-72(60)93)85(68)65-34-31-53(90-69-21-7-1-15-57(69)58-16-2-8-22-70(58)90)44-80(65)96-81-45-54(32-35-66(81)85)91-73-25-11-6-20-62(73)64-41-52(33-38-76(64)91)92-77-27-13-14-28-79(77)95-82-40-51(47-87)30-37-78(82)92/h1-45,48-49H
• InChIKey: CKEQVDSOVGRBFN-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 114.78 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.37
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile?

The IUPAC name of 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile (CID 146654551) is 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile.

What is the SMILES notation for 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile?

The canonical SMILES for 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile is N#Cc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4cc(C#N)ccc43)cc21.

What is the InChIKey of 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile?

The InChIKey is CKEQVDSOVGRBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H47N9O2/c86-46-50-29-36-75-63(39-50)61-19-5-12-26-74(61)94(75)56-43-68-84(89-49-56)83-67(42-55(48-88-83)93-71-23-9-3-17-59(71)60-18-4-10-24-72(60)93)85(68)65-34-31-53(90-69-21-7-1-15-57(69)58-16-2-8-22-70(58)90)44-80(65)96-81-45-54(32-35-66(81)85)91-73-25-11-6-20-62(73)64-41-52(33-38-76(64)91)92-77-27-13-14-28-79(77)95-82-40-51(47-87)30-37-78(82)92/h1-45,48-49H.

What are the key properties of 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile?

10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile has a molecular weight of 1226.37 g/mol, XLogP of 20.65, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[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]carbazol-3-yl]phenoxazine-3-carbonitrile is sourced from PubChem (CID 146654551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).