9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile

C38H19N3OS — CID 146810331

IUPAC9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(C#N)cc(-c5ccc6sc7ccccc7c6c5)cc34)c2c1
InChIInChI=1S/C38H19N3OS/c39-20-22-12-14-27-26-6-1-3-9-32(26)41(34(27)16-22)33-10-5-8-29-31-19-24(17-25(21-40)37(31)42-38(29)33)23-13-15-36-30(18-23)28-7-2-4-11-35(28)43-36/h1-19H
InChIKeyRZXYMIJSKFYJNL-UHFFFAOYSA-N
MW565.66 g/mol
LogP10.46
Rot. Bonds2

About 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile

9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile (PubChem CID 146810331) has the molecular formula C38H19N3OS and a molecular weight of 565.66 g/mol. Its IUPAC name is 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
PubChem CID146810331
Molecular FormulaC38H19N3OS
Molecular Weight565.66 g/mol
Exact Mass565.12
IUPAC Name9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(C#N)cc(-c5ccc6sc7ccccc7c6c5)cc34)c2c1
InChIInChI=1S/C38H19N3OS/c39-20-22-12-14-27-26-6-1-3-9-32(26)41(34(27)16-22)33-10-5-8-29-31-19-24(17-25(21-40)37(31)42-38(29)33)23-13-15-36-30(18-23)28-7-2-4-11-35(28)43-36/h1-19H
InChIKeyRZXYMIJSKFYJNL-UHFFFAOYSA-N
XLogP10.46
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.66
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
CID 149287115
9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147995432
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile
CID 147072879
9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)carbazole
CID 161065016
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 168721833
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563

Frequently Asked Questions

What is the IUPAC name of 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile (CID 146810331) is 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(C#N)cc(-c5ccc6sc7ccccc7c6c5)cc34)c2c1.
What is the InChIKey of 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The InChIKey is RZXYMIJSKFYJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19N3OS/c39-20-22-12-14-27-26-6-1-3-9-32(26)41(34(27)16-22)33-10-5-8-29-31-19-24(17-25(21-40)37(31)42-38(29)33)23-13-15-36-30(18-23)28-7-2-4-11-35(28)43-36/h1-19H.
What are the key properties of 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile has a molecular weight of 565.66 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 146810331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).