4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile

C31H19N3S — CID 167149364

IUPAC4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3sc4ccc(N)cc4c3c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3S/c32-18-19-9-12-22(20-10-13-30-25(16-20)26-17-21(33)11-14-31(26)35-30)29(15-19)34-27-7-3-1-5-23(27)24-6-2-4-8-28(24)34/h1-17H,33H2
InChIKeyLBYDOXKRFBBDGM-UHFFFAOYSA-N
MW465.58 g/mol
LogP8.27
Rot. Bonds2

About 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile

4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile (PubChem CID 167149364) has the molecular formula C31H19N3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile.

Molecular Properties

Compound Name4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
PubChem CID167149364
Molecular FormulaC31H19N3S
Molecular Weight465.58 g/mol
Exact Mass465.13
IUPAC Name4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3sc4ccc(N)cc4c3c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3S/c32-18-19-9-12-22(20-10-13-30-25(16-20)26-17-21(33)11-14-31(26)35-30)29(15-19)34-27-7-3-1-5-23(27)24-6-2-4-8-28(24)34/h1-17H,33H2
InChIKeyLBYDOXKRFBBDGM-UHFFFAOYSA-N
XLogP8.27
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 126577540
8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 139565903
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile
CID 126577608
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
8-(2-carbazol-9-yl-3-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-4-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-5-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-6-cyanophenyl)dibenzothiophene-2-carbonitrile;7-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 163831971
7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine
CID 155299869
4-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576052
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030
2-carbazol-9-yl-3-(3-cyano-4-dibenzothiophen-2-ylphenyl)benzonitrile;2-carbazol-9-yl-3-(4-dibenzothiophen-2-ylphenyl)benzonitrile;5-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile;9-[2-cyano-6-(4-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 158583627
9-[2-cyano-6-(8-cyanodibenzothiophen-2-yl)phenyl]carbazole-3-carbonitrile
CID 122575971

Frequently Asked Questions

What is the IUPAC name of 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile?
The IUPAC name of 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile (CID 167149364) is 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile.
What is the SMILES notation for 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile?
The canonical SMILES for 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile is N#Cc1ccc(-c2ccc3sc4ccc(N)cc4c3c2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile?
The InChIKey is LBYDOXKRFBBDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3S/c32-18-19-9-12-22(20-10-13-30-25(16-20)26-17-21(33)11-14-31(26)35-30)29(15-19)34-27-7-3-1-5-23(27)24-6-2-4-8-28(24)34/h1-17H,33H2.
What are the key properties of 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile?
4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile has a molecular weight of 465.58 g/mol, XLogP of 8.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile is sourced from PubChem (CID 167149364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).