9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile

C38H23N3S — CID 122498901

IUPAC9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESCc1ccc2sc3c(-n4c5ccccc5c5cc(C#N)ccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H23N3S/c1-23-14-17-37-30(18-23)31-20-25(40-32-11-5-2-8-26(32)27-9-3-6-12-33(27)40)21-36(38(31)42-37)41-34-13-7-4-10-28(34)29-19-24(22-39)15-16-35(29)41/h2-21H,1H3
InChIKeyKQTHWTHDSNZLCV-UHFFFAOYSA-N
MW553.69 g/mol
LogP10.43
Rot. Bonds2

About 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile

9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile (PubChem CID 122498901) has the molecular formula C38H23N3S and a molecular weight of 553.69 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
PubChem CID122498901
Molecular FormulaC38H23N3S
Molecular Weight553.69 g/mol
Exact Mass553.16
IUPAC Name9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESCc1ccc2sc3c(-n4c5ccccc5c5cc(C#N)ccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H23N3S/c1-23-14-17-37-30(18-23)31-20-25(40-32-11-5-2-8-26(32)27-9-3-6-12-33(27)40)21-36(38(31)42-37)41-34-13-7-4-10-28(34)29-19-24(22-39)15-16-35(29)41/h2-21H,1H3
InChIKeyKQTHWTHDSNZLCV-UHFFFAOYSA-N
XLogP10.43
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122501076
9-[2-(3-isocyanocarbazol-9-yl)-8-methyldibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 158890351
4-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]dibenzothiophene-2-carbonitrile
CID 122498896
9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 126754484
8-(3-isocyanocarbazol-9-yl)-4-(3-methylcarbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 159477530
4,8-di(carbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 122498900
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-[6-(3-isocyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 161466628
6-methyl-9-[4,6,8-tris(3-cyano-6-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 134343685
9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 158327543
3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 134427511

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile (CID 122498901) is 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile is Cc1ccc2sc3c(-n4c5ccccc5c5cc(C#N)ccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The InChIKey is KQTHWTHDSNZLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3S/c1-23-14-17-37-30(18-23)31-20-25(40-32-11-5-2-8-26(32)27-9-3-6-12-33(27)40)21-36(38(31)42-37)41-34-13-7-4-10-28(34)29-19-24(22-39)15-16-35(29)41/h2-21H,1H3.
What are the key properties of 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile has a molecular weight of 553.69 g/mol, XLogP of 10.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 122498901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).