9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile

C84H46N10O — CID 146654566

IUPAC9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H46N10O/c85-44-49-25-30-76-63(37-49)61-18-6-12-24-75(61)90(76)52-28-33-80-66(40-52)84(67-41-53(29-34-81(67)95-80)91-77-31-26-50(45-86)38-64(77)65-39-51(27-32-78(65)91)92-70-19-7-5-17-60(70)62-35-36-87-48-79(62)92)68-42-54(93-71-20-8-1-13-56(71)57-14-2-9-21-72(57)93)46-88-82(68)83-69(84)43-55(47-89-83)94-73-22-10-3-15-58(73)59-16-4-11-23-74(59)94/h1-43,46-48H
InChIKeyCMLIULPLUYIIHL-UHFFFAOYSA-N
MW1211.36 g/mol
LogP19.57
Rot. Bonds5

About 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile

9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile (PubChem CID 146654566) has the molecular formula C84H46N10O and a molecular weight of 1211.36 g/mol. Its IUPAC name is 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile
PubChem CID146654566
Molecular FormulaC84H46N10O
Molecular Weight1211.36 g/mol
Exact Mass1210.39
IUPAC Name9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C84H46N10O/c85-44-49-25-30-76-63(37-49)61-18-6-12-24-75(61)90(76)52-28-33-80-66(40-52)84(67-41-53(29-34-81(67)95-80)91-77-31-26-50(45-86)38-64(77)65-39-51(27-32-78(65)91)92-70-19-7-5-17-60(70)62-35-36-87-48-79(62)92)68-42-54(93-71-20-8-1-13-56(71)57-14-2-9-21-72(57)93)46-88-82(68)83-69(84)43-55(47-89-83)94-73-22-10-3-15-58(73)59-16-4-11-23-74(59)94/h1-43,46-48H
InChIKeyCMLIULPLUYIIHL-UHFFFAOYSA-N
XLogP19.57
TPSA120.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.36
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
The IUPAC name of 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile (CID 146654566) is 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
The canonical SMILES for 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
The InChIKey is CMLIULPLUYIIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H46N10O/c85-44-49-25-30-76-63(37-49)61-18-6-12-24-75(61)90(76)52-28-33-80-66(40-52)84(67-41-53(29-34-81(67)95-80)91-77-31-26-50(45-86)38-64(77)65-39-51(27-32-78(65)91)92-70-19-7-5-17-60(70)62-35-36-87-48-79(62)92)68-42-54(93-71-20-8-1-13-56(71)57-14-2-9-21-72(57)93)46-88-82(68)83-69(84)43-55(47-89-83)94-73-22-10-3-15-58(73)59-16-4-11-23-74(59)94/h1-43,46-48H.
What are the key properties of 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile has a molecular weight of 1211.36 g/mol, XLogP of 19.57, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5,11-di(carbazol-9-yl)-7'-(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]-2'-yl]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 146654566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).