9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile

C40H29N3SSi — CID 158327543

IUPAC9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
SMILESC[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1
InChIInChI=1S/C40H29N3SSi/c1-45(2,3)28-15-17-38-32(23-28)30-9-5-7-11-36(30)43(38)27-14-19-40-34(22-27)33-21-26(13-18-39(33)44-40)42-35-10-6-4-8-29(35)31-20-25(24-41)12-16-37(31)42/h4-23H,1-3H3
InChIKeyQLBDYBVLSQQTLS-UHFFFAOYSA-N
MW611.85 g/mol
LogP10.67
Rot. Bonds3

About 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile

9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile (PubChem CID 158327543) has the molecular formula C40H29N3SSi and a molecular weight of 611.85 g/mol. Its IUPAC name is 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
PubChem CID158327543
Molecular FormulaC40H29N3SSi
Molecular Weight611.85 g/mol
Exact Mass611.19
IUPAC Name9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
SMILESC[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1
InChIInChI=1S/C40H29N3SSi/c1-45(2,3)28-15-17-38-32(23-28)30-9-5-7-11-36(30)43(38)27-14-19-40-34(22-27)33-21-26(13-18-39(33)44-40)42-35-10-6-4-8-29(35)31-20-25(24-41)12-16-37(31)42/h4-23H,1-3H3
InChIKeyQLBDYBVLSQQTLS-UHFFFAOYSA-N
XLogP10.67
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.85
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576052
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
3-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576049
9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122501076
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[8-(3-tert-butylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;9-[3-(3-tert-butylcarbazol-9-yl)phenyl]carbazole-3-carbonitrile;9-[3-(3-tert-butylcarbazol-9-yl)phenyl]carbazole-3,6-dicarbonitrile;9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;9-[3-(3-trimethylsilylcarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 164969672
[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane
CID 171061198
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755

Frequently Asked Questions

What is the IUPAC name of 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile (CID 158327543) is 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile is C[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1.
What is the InChIKey of 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile?
The InChIKey is QLBDYBVLSQQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3SSi/c1-45(2,3)28-15-17-38-32(23-28)30-9-5-7-11-36(30)43(38)27-14-19-40-34(22-27)33-21-26(13-18-39(33)44-40)42-35-10-6-4-8-29(35)31-20-25(24-41)12-16-37(31)42/h4-23H,1-3H3.
What are the key properties of 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile?
9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile has a molecular weight of 611.85 g/mol, XLogP of 10.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 158327543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).