8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile

C38H19N3OS — CID 126577735

IUPAC8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4cccc(C#N)c4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3c2c1
InChIInChI=1S/C38H19N3OS/c39-20-22-12-16-33-29(18-22)30-19-23(13-17-34(30)42-33)25-9-5-6-24(21-40)37(25)41-31-10-3-1-8-28(31)36-32(41)15-14-27-26-7-2-4-11-35(26)43-38(27)36/h1-19H
InChIKeyUUMJFXPEVLSBMC-UHFFFAOYSA-N
MW565.66 g/mol
LogP10.46
Rot. Bonds2

About 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile

8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile (PubChem CID 126577735) has the molecular formula C38H19N3OS and a molecular weight of 565.66 g/mol. Its IUPAC name is 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile
PubChem CID126577735
Molecular FormulaC38H19N3OS
Molecular Weight565.66 g/mol
Exact Mass565.12
IUPAC Name8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4cccc(C#N)c4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3c2c1
InChIInChI=1S/C38H19N3OS/c39-20-22-12-16-33-29(18-22)30-19-23(13-17-34(30)42-33)25-9-5-6-24(21-40)37(25)41-31-10-3-1-8-28(31)36-32(41)15-14-27-26-7-2-4-11-35(26)43-38(27)36/h1-19H
InChIKeyUUMJFXPEVLSBMC-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

Analyze 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300211
5-(2-cyano-6-dibenzofuran-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole-11-carbonitrile;5-(3-cyano-2-dibenzofuran-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole-11-carbonitrile;5-(4-cyano-2-dibenzofuran-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole-11-carbonitrile;5-(5-cyano-2-dibenzofuran-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole-11-carbonitrile
CID 159168684
9-[2-cyano-6-(8-cyanodibenzothiophen-2-yl)phenyl]carbazole-3-carbonitrile
CID 122575971
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(8-methanimidoyldibenzofuran-2-yl)benzonitrile
CID 126596638
2-(3-aminocarbazol-9-yl)-3-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzonitrile
CID 126582573
2-carbazol-9-yl-3-[18-(3-cyanophenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 126582478
8-[3-(2-cyanophenyl)-4-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355023
2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile
CID 159772841
2,3,5-tri(carbazol-9-yl)-6-(3-cyano-[1]benzothiolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile;2,3,5-tri(carbazol-9-yl)-6-[3-(2-methylphenyl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile;2,3,5-tri(carbazol-9-yl)-6-(3-pyrimidin-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 161280984
8-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile;8-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]dibenzofuran-2-carbonitrile;8-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]dibenzofuran-2-carbonitrile;5-(3-cyano-2-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole-11-carbonitrile
CID 161253648
8-[3-(2-cyanophenyl)-4-dibenzothiophen-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355181

Frequently Asked Questions

What is the IUPAC name of 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile (CID 126577735) is 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3ccc(-c4cccc(C#N)c4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3c2c1.
What is the InChIKey of 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile?
The InChIKey is UUMJFXPEVLSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19N3OS/c39-20-22-12-16-33-29(18-22)30-19-23(13-17-34(30)42-33)25-9-5-6-24(21-40)37(25)41-31-10-3-1-8-28(31)36-32(41)15-14-27-26-7-2-4-11-35(26)43-38(27)36/h1-19H.
What are the key properties of 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile?
8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-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 8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 126577735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).