6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C22H13N3S — CID 70992961

IUPAC6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cnc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C22H13N3S/c1-3-8-16-14(6-1)15-7-2-4-9-17(15)25(16)18-11-13-24-21-20-19(26-22(18)21)10-5-12-23-20/h1-13H
InChIKeyMIGPGHPIFLVGPW-UHFFFAOYSA-N
MW351.43 g/mol
LogP5.94
Rot. Bonds1

About 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 70992961) has the molecular formula C22H13N3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID70992961
Molecular FormulaC22H13N3S
Molecular Weight351.43 g/mol
Exact Mass351.08
IUPAC Name6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cnc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C22H13N3S/c1-3-8-16-14(6-1)15-7-2-4-9-17(15)25(16)18-11-13-24-21-20-19(26-22(18)21)10-5-12-23-20/h1-13H
InChIKeyMIGPGHPIFLVGPW-UHFFFAOYSA-N
XLogP5.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101082
10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168811229
3-dibenzothiophen-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122524205
6-[3-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 172500377
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
CID 140811727
[1]benzothiolo[3,2-b]pyridine
CID 174218515
8-(4-carbazol-9-yl-2,5-dimethylphenyl)-[1]benzothiolo[3,2-b]pyridine
CID 122693121
10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
CID 121298662
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 70992961) is 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1cnc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)ccnc12.
What is the InChIKey of 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is MIGPGHPIFLVGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3S/c1-3-8-16-14(6-1)15-7-2-4-9-17(15)25(16)18-11-13-24-21-20-19(26-22(18)21)10-5-12-23-20/h1-13H.
What are the key properties of 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 351.43 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 70992961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).