2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile

C32H20N2S — CID 170517456

IUPAC2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile
SMILESN#Cc1cc(Cc2ccccc2-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12
InChIInChI=1S/C32H20N2S/c33-20-23-18-21(19-27-26-12-4-8-16-31(26)35-32(23)27)17-22-9-1-5-13-28(22)34-29-14-6-2-10-24(29)25-11-3-7-15-30(25)34/h1-16,18-19H,17H2
InChIKeyGYZAOVNAKKTKOH-UHFFFAOYSA-N
MW464.59 g/mol
LogP8.61
Rot. Bonds3

About 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile

2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile (PubChem CID 170517456) has the molecular formula C32H20N2S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile
PubChem CID170517456
Molecular FormulaC32H20N2S
Molecular Weight464.59 g/mol
Exact Mass464.13
IUPAC Name2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile
SMILESN#Cc1cc(Cc2ccccc2-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12
InChIInChI=1S/C32H20N2S/c33-20-23-18-21(19-27-26-12-4-8-16-31(26)35-32(23)27)17-22-9-1-5-13-28(22)34-29-14-6-2-10-24(29)25-11-3-7-15-30(25)34/h1-16,18-19H,17H2
InChIKeyGYZAOVNAKKTKOH-UHFFFAOYSA-N
XLogP8.61
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-4-carbonitrile
CID 90194308
2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile
CID 155131777
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
2-dibenzothiophen-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 148734758
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300159
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121329260
[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine
CID 170130014
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-isocyanobenzonitrile
CID 153462196
4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[5-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 169287426
2-benzo[c]carbazol-7-yl-5-(3-carbazol-9-yl-[1]benzothiolo[2,3-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile?
The IUPAC name of 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile (CID 170517456) is 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile.
What is the SMILES notation for 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile?
The canonical SMILES for 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile is N#Cc1cc(Cc2ccccc2-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12.
What is the InChIKey of 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile?
The InChIKey is GYZAOVNAKKTKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S/c33-20-23-18-21(19-27-26-12-4-8-16-31(26)35-32(23)27)17-22-9-1-5-13-28(22)34-29-14-6-2-10-24(29)25-11-3-7-15-30(25)34/h1-16,18-19H,17H2.
What are the key properties of 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile?
2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile has a molecular weight of 464.59 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile is sourced from PubChem (CID 170517456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).