9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile

C83H45N11O — CID 146654571

IUPAC9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ncc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccncc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C83H45N11O/c84-42-48-25-29-75-62(35-48)63-36-49(43-85)87-47-78(63)91(75)50-26-30-76-64(37-50)60-18-6-12-24-74(60)90(76)51-27-31-79-65(38-51)83(66-39-52(28-32-80(66)95-79)92-69-19-7-5-17-59(69)61-33-34-86-46-77(61)92)67-40-53(93-70-20-8-1-13-55(70)56-14-2-9-21-71(56)93)44-88-81(67)82-68(83)41-54(45-89-82)94-72-22-10-3-15-57(72)58-16-4-11-23-73(58)94/h1-41,44-47H
InChIKeyPEJPXTUWRVBCQG-UHFFFAOYSA-N
MW1212.35 g/mol
LogP18.96
Rot. Bonds5

About 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile

9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile (PubChem CID 146654571) has the molecular formula C83H45N11O and a molecular weight of 1212.35 g/mol. Its IUPAC name is 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile
PubChem CID146654571
Molecular FormulaC83H45N11O
Molecular Weight1212.35 g/mol
Exact Mass1211.38
IUPAC Name9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ncc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccncc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C83H45N11O/c84-42-48-25-29-75-62(35-48)63-36-49(43-85)87-47-78(63)91(75)50-26-30-76-64(37-50)60-18-6-12-24-74(60)90(76)51-27-31-79-65(38-51)83(66-39-52(28-32-80(66)95-79)92-69-19-7-5-17-59(69)61-33-34-86-46-77(61)92)67-40-53(93-70-20-8-1-13-55(70)56-14-2-9-21-71(56)93)44-88-81(67)82-68(83)41-54(45-89-82)94-72-22-10-3-15-57(72)58-16-4-11-23-73(58)94/h1-41,44-47H
InChIKeyPEJPXTUWRVBCQG-UHFFFAOYSA-N
XLogP18.96
TPSA133.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001212.35
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile?
The IUPAC name of 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile (CID 146654571) is 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile?
The canonical SMILES for 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ncc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccncc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile?
The InChIKey is PEJPXTUWRVBCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H45N11O/c84-42-48-25-29-75-62(35-48)63-36-49(43-85)87-47-78(63)91(75)50-26-30-76-64(37-50)60-18-6-12-24-74(60)90(76)51-27-31-79-65(38-51)83(66-39-52(28-32-80(66)95-79)92-69-19-7-5-17-59(69)61-33-34-86-46-77(61)92)67-40-53(93-70-20-8-1-13-55(70)56-14-2-9-21-71(56)93)44-88-81(67)82-68(83)41-54(45-89-82)94-72-22-10-3-15-57(72)58-16-4-11-23-73(58)94/h1-41,44-47H.
What are the key properties of 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile?
9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile has a molecular weight of 1212.35 g/mol, XLogP of 18.96, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[5,11-di(carbazol-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]-2'-yl]carbazol-3-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile is sourced from PubChem (CID 146654571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).