9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile

C74H39N9S — CID 146654933

IUPAC9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(C#N)ccc54)cnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Sc2c(-n3c4ccccc4c4cc(C#N)ccc43)cccc21
InChIInChI=1S/C74H39N9S/c75-38-43-27-30-65-53(33-43)50-15-3-6-20-60(50)80(65)46-36-58-70(78-41-46)71-59(37-47(42-79-71)81-61-21-7-4-16-51(61)54-34-44(39-76)28-31-66(54)81)74(58)56-18-11-25-68(82-62-22-8-1-13-48(62)49-14-2-9-23-63(49)82)72(56)84-73-57(74)19-12-26-69(73)83-64-24-10-5-17-52(64)55-35-45(40-77)29-32-67(55)83/h1-37,41-42H
InChIKeyOCTSLYZTBZMMGJ-UHFFFAOYSA-N
MW1086.26 g/mol
LogP17.31
Rot. Bonds4

About 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile

9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile (PubChem CID 146654933) has the molecular formula C74H39N9S and a molecular weight of 1086.26 g/mol. Its IUPAC name is 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile
PubChem CID146654933
Molecular FormulaC74H39N9S
Molecular Weight1086.26 g/mol
Exact Mass1085.30
IUPAC Name9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(C#N)ccc54)cnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Sc2c(-n3c4ccccc4c4cc(C#N)ccc43)cccc21
InChIInChI=1S/C74H39N9S/c75-38-43-27-30-65-53(33-43)50-15-3-6-20-60(50)80(65)46-36-58-70(78-41-46)71-59(37-47(42-79-71)81-61-21-7-4-16-51(61)54-34-44(39-76)28-31-66(54)81)74(58)56-18-11-25-68(82-62-22-8-1-13-48(62)49-14-2-9-23-63(49)82)72(56)84-73-57(74)19-12-26-69(73)83-64-24-10-5-17-52(64)55-35-45(40-77)29-32-67(55)83/h1-37,41-42H
InChIKeyOCTSLYZTBZMMGJ-UHFFFAOYSA-N
XLogP17.31
TPSA116.87 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.26
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile with MolForge

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Related Compounds

9-[4',11-di(carbazol-9-yl)-5'-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-3,6-dicarbonitrile
CID 146654469
9-[5,11-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-yl]carbazole-3,6-dicarbonitrile
CID 146654968
9-(11-carbazol-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-3,6-dicarbonitrile
CID 146655314
9-[5-(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]-4'-yl]carbazole-3,6-dicarbonitrile
CID 146655895
9-[11-(3-cyanocarbazol-9-yl)-2'-phenoxazin-10-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 146655395
9-(1'-carbazol-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 146654399
9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-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]carbazole-3,6-dicarbonitrile
CID 146655624
9-[9-[5-(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'-thioxanthene]-2'-yl]carbazol-3-yl]carbazole-3-carbonitrile
CID 146654638
9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylcarbazole-3-carbonitrile
CID 146655017
9-(4'-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-3,6-dicarbonitrile
CID 146655383
6-carbazol-9-yl-9-[5,6'-di(carbazol-9-yl)-11-(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]-3'-yl]carbazole-3-carbonitrile
CID 146655934
9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 146656157

Frequently Asked Questions

What is the IUPAC name of 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile (CID 146654933) is 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5cc(C#N)ccc54)cnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Sc2c(-n3c4ccccc4c4cc(C#N)ccc43)cccc21.
What is the InChIKey of 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile?
The InChIKey is OCTSLYZTBZMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H39N9S/c75-38-43-27-30-65-53(33-43)50-15-3-6-20-60(50)80(65)46-36-58-70(78-41-46)71-59(37-47(42-79-71)81-61-21-7-4-16-51(61)54-34-44(39-76)28-31-66(54)81)74(58)56-18-11-25-68(82-62-22-8-1-13-48(62)49-14-2-9-23-63(49)82)72(56)84-73-57(74)19-12-26-69(73)83-64-24-10-5-17-52(64)55-35-45(40-77)29-32-67(55)83/h1-37,41-42H.
What are the key properties of 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile?
9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile has a molecular weight of 1086.26 g/mol, XLogP of 17.31, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5'-carbazol-9-yl-5,11-bis(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'-thioxanthene]-4'-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146654933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).