9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile

C37H20N2S2 — CID 153168563

IUPAC9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3sc3cccc(-c5ccc6c(c5)sc5ccccc56)c34)c2c1
InChIInChI=1S/C37H20N2S2/c38-21-22-15-17-26-25-7-1-3-11-30(25)39(32(26)19-22)31-12-5-10-29-36-24(9-6-14-34(36)41-37(29)31)23-16-18-28-27-8-2-4-13-33(27)40-35(28)20-23/h1-20H
InChIKeyWDTBEGNDVWQWBI-UHFFFAOYSA-N
MW556.72 g/mol
LogP11.06
Rot. Bonds2

About 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile

9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile (PubChem CID 153168563) has the molecular formula C37H20N2S2 and a molecular weight of 556.72 g/mol. Its IUPAC name is 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
PubChem CID153168563
Molecular FormulaC37H20N2S2
Molecular Weight556.72 g/mol
Exact Mass556.11
IUPAC Name9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3sc3cccc(-c5ccc6c(c5)sc5ccccc56)c34)c2c1
InChIInChI=1S/C37H20N2S2/c38-21-22-15-17-26-25-7-1-3-11-30(25)39(32(26)19-22)31-12-5-10-29-36-24(9-6-14-34(36)41-37(29)31)23-16-18-28-27-8-2-4-13-33(27)40-35(28)20-23/h1-20H
InChIKeyWDTBEGNDVWQWBI-UHFFFAOYSA-N
XLogP11.06
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.72
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 161330058
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 126577540
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
9-(8-dibenzothiophen-1-yl-6-isocyanodibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 158000843
9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole
CID 149106445
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
9-(9-dibenzothiophen-1-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-3,6-dimethylcarbazole
CID 160666840
9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
CID 134343720
9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 147486433
4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 126729166
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile (CID 153168563) is 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3sc3cccc(-c5ccc6c(c5)sc5ccccc56)c34)c2c1.
What is the InChIKey of 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile?
The InChIKey is WDTBEGNDVWQWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2S2/c38-21-22-15-17-26-25-7-1-3-11-30(25)39(32(26)19-22)31-12-5-10-29-36-24(9-6-14-34(36)41-37(29)31)23-16-18-28-27-8-2-4-13-33(27)40-35(28)20-23/h1-20H.
What are the key properties of 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile?
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile has a molecular weight of 556.72 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 153168563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).