9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile

C85H47N9O — CID 146654779

IUPAC9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cccc(-n3c4ccccc4c4cc(C#N)ccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C85H47N9O/c86-46-50-32-37-76-63(40-50)60-20-5-12-27-73(60)90(76)52-35-39-77-65(42-52)62-22-6-13-28-74(62)91(77)53-34-36-66-81(45-53)95-80-31-15-30-79(94-75-29-14-7-21-61(75)64-41-51(47-87)33-38-78(64)94)82(80)85(66)67-43-54(92-69-23-8-1-16-56(69)57-17-2-9-24-70(57)92)48-88-83(67)84-68(85)44-55(49-89-84)93-71-25-10-3-18-58(71)59-19-4-11-26-72(59)93/h1-45,48-49H
InChIKeyOQNGKIOOWHGUMR-UHFFFAOYSA-N
MW1210.37 g/mol
LogP20.17
Rot. Bonds5

About 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile

9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile (PubChem CID 146654779) has the molecular formula C85H47N9O and a molecular weight of 1210.37 g/mol. Its IUPAC name is 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile
PubChem CID146654779
Molecular FormulaC85H47N9O
Molecular Weight1210.37 g/mol
Exact Mass1209.39
IUPAC Name9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cccc(-n3c4ccccc4c4cc(C#N)ccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C85H47N9O/c86-46-50-32-37-76-63(40-50)60-20-5-12-27-73(60)90(76)52-35-39-77-65(42-52)62-22-6-13-28-74(62)91(77)53-34-36-66-81(45-53)95-80-31-15-30-79(94-75-29-14-7-21-61(75)64-41-51(47-87)33-38-78(64)94)82(80)85(66)67-43-54(92-69-23-8-1-16-56(69)57-17-2-9-24-70(57)92)48-88-83(67)84-68(85)44-55(49-89-84)93-71-25-10-3-18-58(71)59-19-4-11-26-72(59)93/h1-45,48-49H
InChIKeyOQNGKIOOWHGUMR-UHFFFAOYSA-N
XLogP20.17
TPSA107.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.37
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile?
The IUPAC name of 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile (CID 146654779) is 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile?
The canonical SMILES for 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cccc(-n3c4ccccc4c4cc(C#N)ccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile?
The InChIKey is OQNGKIOOWHGUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H47N9O/c86-46-50-32-37-76-63(40-50)60-20-5-12-27-73(60)90(76)52-35-39-77-65(42-52)62-22-6-13-28-74(62)91(77)53-34-36-66-81(45-53)95-80-31-15-30-79(94-75-29-14-7-21-61(75)64-41-51(47-87)33-38-78(64)94)82(80)85(66)67-43-54(92-69-23-8-1-16-56(69)57-17-2-9-24-70(57)92)48-88-83(67)84-68(85)44-55(49-89-84)93-71-25-10-3-18-58(71)59-19-4-11-26-72(59)93/h1-45,48-49H.
What are the key properties of 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile?
9-[9-[5,11-di(carbazol-9-yl)-8'-(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]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 9-[9-[5,11-di(carbazol-9-yl)-8'-(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]carbazole-3-carbonitrile is sourced from PubChem (CID 146654779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).