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

C85H47N9O — CID 146654506

IUPAC9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1ccccc1C2c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)ccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
InChIInChI=1S/C85H47N9O/c86-44-49-25-30-64-65(37-49)56-13-1-2-19-63(56)82(64)51-39-70-83(89-46-51)84-71(41-55(47-90-84)94-75-23-11-5-16-59(75)60-17-6-12-24-76(60)94)85(70)68-31-27-53(91-72-20-8-3-14-57(72)58-15-4-9-21-73(58)91)42-80(68)95-81-43-54(28-32-69(81)85)92-77-33-26-50(45-87)38-66(77)67-40-52(29-34-78(67)92)93-74-22-10-7-18-61(74)62-35-36-88-48-79(62)93/h1-43,46-48,82H
InChIKeyYNHFNUUTKKUSRA-UHFFFAOYSA-N
MW1210.37 g/mol
LogP19.63
Rot. Bonds5

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

9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile (PubChem CID 146654506) has the molecular formula C85H47N9O and a molecular weight of 1210.37 g/mol. Its IUPAC name is 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile
PubChem CID146654506
Molecular FormulaC85H47N9O
Molecular Weight1210.37 g/mol
Exact Mass1209.39
IUPAC Name9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1ccccc1C2c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)ccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
InChIInChI=1S/C85H47N9O/c86-44-49-25-30-64-65(37-49)56-13-1-2-19-63(56)82(64)51-39-70-83(89-46-51)84-71(41-55(47-90-84)94-75-23-11-5-16-59(75)60-17-6-12-24-76(60)94)85(70)68-31-27-53(91-72-20-8-3-14-57(72)58-15-4-9-21-73(58)91)42-80(68)95-81-43-54(28-32-69(81)85)92-77-33-26-50(45-87)38-66(77)67-40-52(29-34-78(67)92)93-74-22-10-7-18-61(74)62-35-36-88-48-79(62)93/h1-43,46-48,82H
InChIKeyYNHFNUUTKKUSRA-UHFFFAOYSA-N
XLogP19.63
TPSA115.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.37
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-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-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
The IUPAC name of 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile (CID 146654506) is 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
The canonical SMILES for 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)-c1ccccc1C2c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)ccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.
What is the InChIKey of 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
The InChIKey is YNHFNUUTKKUSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H47N9O/c86-44-49-25-30-64-65(37-49)56-13-1-2-19-63(56)82(64)51-39-70-83(89-46-51)84-71(41-55(47-90-84)94-75-23-11-5-16-59(75)60-17-6-12-24-76(60)94)85(70)68-31-27-53(91-72-20-8-3-14-57(72)58-15-4-9-21-73(58)91)42-80(68)95-81-43-54(28-32-69(81)85)92-77-33-26-50(45-87)38-66(77)67-40-52(29-34-78(67)92)93-74-22-10-7-18-61(74)62-35-36-88-48-79(62)93/h1-43,46-48,82H.
What are the key properties of 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile?
9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile has a molecular weight of 1210.37 g/mol, XLogP of 19.63, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5,6'-di(carbazol-9-yl)-11-(3-cyano-9H-fluoren-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]-6-pyrido[3,4-b]indol-9-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 146654506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).