9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile

C32H17N3S — CID 121298270

IUPAC9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C32H17N3S/c33-18-20-11-13-29-27(15-20)28-16-21(19-34)12-14-30(28)35(29)23-6-3-5-22(17-23)24-8-4-9-26-25-7-1-2-10-31(25)36-32(24)26/h1-17H
InChIKeyOQXMBIWAFUFZEC-UHFFFAOYSA-N
MW475.58 g/mol
LogP8.56
Rot. Bonds2

About 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile

9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile (PubChem CID 121298270) has the molecular formula C32H17N3S and a molecular weight of 475.58 g/mol. Its IUPAC name is 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile
PubChem CID121298270
Molecular FormulaC32H17N3S
Molecular Weight475.58 g/mol
Exact Mass475.11
IUPAC Name9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C32H17N3S/c33-18-20-11-13-29-27(15-20)28-16-21(19-34)12-14-30(28)35(29)23-6-3-5-22(17-23)24-8-4-9-26-25-7-1-2-10-31(25)36-32(24)26/h1-17H
InChIKeyOQXMBIWAFUFZEC-UHFFFAOYSA-N
XLogP8.56
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.58
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-(3-dibenzothiophen-4-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 130231244
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-[4-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;6-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 159388759
9-[3-cyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole-3,6-dicarbonitrile
CID 126761763
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 138599575
9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
CID 134343720
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-[3-[3-(3-cyanophenyl)-2-dibenzothiophen-1-ylphenyl]phenyl]carbazole-3-carbonitrile
CID 154963049
9-[4-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]carbazole-3-carbonitrile
CID 177271649
9-[3-[2-[3-(8-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 140823139

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile (CID 121298270) is 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile?
The InChIKey is OQXMBIWAFUFZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N3S/c33-18-20-11-13-29-27(15-20)28-16-21(19-34)12-14-30(28)35(29)23-6-3-5-22(17-23)24-8-4-9-26-25-7-1-2-10-31(25)36-32(24)26/h1-17H.
What are the key properties of 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile?
9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile has a molecular weight of 475.58 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 121298270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).