9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile

C37H21N3S — CID 118396713

IUPAC9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C37H21N3S/c38-22-23-16-18-33-29(20-23)25-8-1-4-12-31(25)39(33)24-17-19-34-30(21-24)26-9-2-5-13-32(26)40(34)35-14-7-11-28-27-10-3-6-15-36(27)41-37(28)35/h1-21H
InChIKeyQIPOEWDFIOXEPG-UHFFFAOYSA-N
MW539.66 g/mol
LogP10.12
Rot. Bonds2

About 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile

9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile (PubChem CID 118396713) has the molecular formula C37H21N3S and a molecular weight of 539.66 g/mol. Its IUPAC name is 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
PubChem CID118396713
Molecular FormulaC37H21N3S
Molecular Weight539.66 g/mol
Exact Mass539.15
IUPAC Name9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C37H21N3S/c38-22-23-16-18-33-29(20-23)25-8-1-4-12-31(25)39(33)24-17-19-34-30(21-24)26-9-2-5-13-32(26)40(34)35-14-7-11-28-27-10-3-6-15-36(27)41-37(28)35/h1-21H
InChIKeyQIPOEWDFIOXEPG-UHFFFAOYSA-N
XLogP10.12
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 126754484
9-[6-(3-isocyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 161466628
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360
9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122501076
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160765349
4-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]dibenzothiophene-2-carbonitrile
CID 122498896
9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 121298270
4,8-di(carbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 122498900
9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
CID 134343720
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122498901
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

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile (CID 118396713) is 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1ccccc12.
What is the InChIKey of 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile?
The InChIKey is QIPOEWDFIOXEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3S/c38-22-23-16-18-33-29(20-23)25-8-1-4-12-31(25)39(33)24-17-19-34-30(21-24)26-9-2-5-13-32(26)40(34)35-14-7-11-28-27-10-3-6-15-36(27)41-37(28)35/h1-21H.
What are the key properties of 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile?
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile has a molecular weight of 539.66 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 118396713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).