9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile

C83H47N9O — CID 146654563

IUPAC9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3Oc3ccc(-n4c5ccccc5c5ccncc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
InChIInChI=1S/C83H47N9O/c84-45-49-29-33-76-63(39-49)60-20-6-14-28-75(60)92(76)54-44-68-82(87-47-54)81-67(43-53(46-86-81)91-72-25-11-3-17-57(72)58-18-4-12-26-73(58)91)83(68)65-41-51(31-35-79(65)93-80-36-32-52(42-66(80)83)90-71-24-10-5-19-59(71)62-37-38-85-48-78(62)90)89-74-27-13-7-21-61(74)64-40-50(30-34-77(64)89)88-69-22-8-1-15-55(69)56-16-2-9-23-70(56)88/h1-44,46-48H
InChIKeyVWPPYDSJGZJOQG-UHFFFAOYSA-N
MW1186.35 g/mol
LogP19.70
Rot. Bonds5

About 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile

9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile (PubChem CID 146654563) has the molecular formula C83H47N9O and a molecular weight of 1186.35 g/mol. Its IUPAC name is 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
PubChem CID146654563
Molecular FormulaC83H47N9O
Molecular Weight1186.35 g/mol
Exact Mass1185.39
IUPAC Name9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3Oc3ccc(-n4c5ccccc5c5ccncc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
InChIInChI=1S/C83H47N9O/c84-45-49-29-33-76-63(39-49)60-20-6-14-28-75(60)92(76)54-44-68-82(87-47-54)81-67(43-53(46-86-81)91-72-25-11-3-17-57(72)58-18-4-12-26-73(58)91)83(68)65-41-51(31-35-79(65)93-80-36-32-52(42-66(80)83)90-71-24-10-5-19-59(71)62-37-38-85-48-78(62)90)89-74-27-13-7-21-61(74)64-40-50(30-34-77(64)89)88-69-22-8-1-15-55(69)56-16-2-9-23-70(56)88/h1-44,46-48H
InChIKeyVWPPYDSJGZJOQG-UHFFFAOYSA-N
XLogP19.70
TPSA96.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001186.35
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile (CID 146654563) is 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3Oc3ccc(-n4c5ccccc5c5ccncc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.
What is the InChIKey of 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?
The InChIKey is VWPPYDSJGZJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H47N9O/c84-45-49-29-33-76-63(39-49)60-20-6-14-28-75(60)92(76)54-44-68-82(87-47-54)81-67(43-53(46-86-81)91-72-25-11-3-17-57(72)58-18-4-12-26-73(58)91)83(68)65-41-51(31-35-79(65)93-80-36-32-52(42-66(80)83)90-71-24-10-5-19-59(71)62-37-38-85-48-78(62)90)89-74-27-13-7-21-61(74)64-40-50(30-34-77(64)89)88-69-22-8-1-15-55(69)56-16-2-9-23-70(56)88/h1-44,46-48H.
What are the key properties of 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile?
9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile has a molecular weight of 1186.35 g/mol, XLogP of 19.70, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[11-carbazol-9-yl-2'-(3-carbazol-9-ylcarbazol-9-yl)-7'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146654563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).