9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile

C84H48N8O — CID 146654780

IUPAC9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H48N8O/c85-47-50-36-40-77-63(42-50)61-24-8-16-33-75(61)92(77)78-34-17-35-79-81(78)84(65-39-37-52(46-80(65)93-79)89-74-32-15-7-25-62(74)64-43-51(38-41-76(64)89)88-68-26-9-1-18-55(68)56-19-2-10-27-69(56)88)66-44-53(90-70-28-11-3-20-57(70)58-21-4-12-29-71(58)90)48-86-82(66)83-67(84)45-54(49-87-83)91-72-30-13-5-22-59(72)60-23-6-14-31-73(60)91/h1-46,48-49H
InChIKeyKMNTXRRLJTWNJV-UHFFFAOYSA-N
MW1185.36 g/mol
LogP20.30
Rot. Bonds5

About 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile

9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile (PubChem CID 146654780) has the molecular formula C84H48N8O and a molecular weight of 1185.36 g/mol. Its IUPAC name is 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile
PubChem CID146654780
Molecular FormulaC84H48N8O
Molecular Weight1185.36 g/mol
Exact Mass1184.40
IUPAC Name9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H48N8O/c85-47-50-36-40-77-63(42-50)61-24-8-16-33-75(61)92(77)78-34-17-35-79-81(78)84(65-39-37-52(46-80(65)93-79)89-74-32-15-7-25-62(74)64-43-51(38-41-76(64)89)88-68-26-9-1-18-55(68)56-19-2-10-27-69(56)88)66-44-53(90-70-28-11-3-20-57(70)58-21-4-12-29-71(58)90)48-86-82(66)83-67(84)45-54(49-87-83)91-72-30-13-5-22-59(72)60-23-6-14-31-73(60)91/h1-46,48-49H
InChIKeyKMNTXRRLJTWNJV-UHFFFAOYSA-N
XLogP20.30
TPSA83.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.36
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile (CID 146654780) is 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile?
The InChIKey is KMNTXRRLJTWNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N8O/c85-47-50-36-40-77-63(42-50)61-24-8-16-33-75(61)92(77)78-34-17-35-79-81(78)84(65-39-37-52(46-80(65)93-79)89-74-32-15-7-25-62(74)64-43-51(38-41-76(64)89)88-68-26-9-1-18-55(68)56-19-2-10-27-69(56)88)66-44-53(90-70-28-11-3-20-57(70)58-21-4-12-29-71(58)90)48-86-82(66)83-67(84)45-54(49-87-83)91-72-30-13-5-22-59(72)60-23-6-14-31-73(60)91/h1-46,48-49H.
What are the key properties of 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile?
9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile has a molecular weight of 1185.36 g/mol, XLogP of 20.30, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5,11-di(carbazol-9-yl)-6'-(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]-1'-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146654780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).