9-[9-[5,8',11-tri(carbazol-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

C84H48N8O — CID 146654747

IUPAC9-[9-[5,8',11-tri(carbazol-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(-n3c4ccccc4c4ccccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H48N8O/c85-47-50-36-40-76-63(42-50)61-24-7-13-30-72(61)88(76)51-38-41-77-64(43-51)62-25-8-14-31-73(62)89(77)52-37-39-65-80(46-52)93-79-35-17-34-78(92-74-32-15-5-22-59(74)60-23-6-16-33-75(60)92)81(79)84(65)66-44-53(90-68-26-9-1-18-55(68)56-19-2-10-27-69(56)90)48-86-82(66)83-67(84)45-54(49-87-83)91-70-28-11-3-20-57(70)58-21-4-12-29-71(58)91/h1-46,48-49H
InChIKeyMZZAFNVLOSIHHI-UHFFFAOYSA-N
MW1185.36 g/mol
LogP20.30
Rot. Bonds5

About 9-[9-[5,8',11-tri(carbazol-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-[5,8',11-tri(carbazol-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 146654747) has the molecular formula C84H48N8O and a molecular weight of 1185.36 g/mol. Its IUPAC name is 9-[9-[5,8',11-tri(carbazol-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-[5,8',11-tri(carbazol-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 CID146654747
Molecular FormulaC84H48N8O
Molecular Weight1185.36 g/mol
Exact Mass1184.40
IUPAC Name9-[9-[5,8',11-tri(carbazol-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(-n3c4ccccc4c4ccccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H48N8O/c85-47-50-36-40-76-63(42-50)61-24-7-13-30-72(61)88(76)51-38-41-77-64(43-51)62-25-8-14-31-73(62)89(77)52-37-39-65-80(46-52)93-79-35-17-34-78(92-74-32-15-5-22-59(74)60-23-6-16-33-75(60)92)81(79)84(65)66-44-53(90-68-26-9-1-18-55(68)56-19-2-10-27-69(56)90)48-86-82(66)83-67(84)45-54(49-87-83)91-70-28-11-3-20-57(70)58-21-4-12-29-71(58)91/h1-46,48-49H
InChIKeyMZZAFNVLOSIHHI-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-[9-[5,8',11-tri(carbazol-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-[5,8',11-tri(carbazol-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-[5,8',11-tri(carbazol-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 146654747) is 9-[9-[5,8',11-tri(carbazol-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-[5,8',11-tri(carbazol-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-[5,8',11-tri(carbazol-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(-n3c4ccccc4c4ccccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[9-[5,8',11-tri(carbazol-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 MZZAFNVLOSIHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N8O/c85-47-50-36-40-76-63(42-50)61-24-7-13-30-72(61)88(76)51-38-41-77-64(43-51)62-25-8-14-31-73(62)89(77)52-37-39-65-80(46-52)93-79-35-17-34-78(92-74-32-15-5-22-59(74)60-23-6-16-33-75(60)92)81(79)84(65)66-44-53(90-68-26-9-1-18-55(68)56-19-2-10-27-69(56)90)48-86-82(66)83-67(84)45-54(49-87-83)91-70-28-11-3-20-57(70)58-21-4-12-29-71(58)91/h1-46,48-49H.
What are the key properties of 9-[9-[5,8',11-tri(carbazol-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-[5,8',11-tri(carbazol-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 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-[9-[5,8',11-tri(carbazol-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 146654747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).