8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene

C24H16N4OS — CID 59358965

IUPAC8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene
SMILESCCn1c2ccccc2c2cc(-c3occ4c3c3ncsc3n3ccnc43)ccc21
InChIInChI=1S/C24H16N4OS/c1-2-27-18-6-4-3-5-15(18)16-11-14(7-8-19(16)27)22-20-17(12-29-22)23-25-9-10-28(23)24-21(20)26-13-30-24/h3-13H,2H2,1H3
InChIKeyTXWFMDJRYOTOQZ-UHFFFAOYSA-N
MW408.49 g/mol
LogP6.49
Rot. Bonds2

About 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene

8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene (PubChem CID 59358965) has the molecular formula C24H16N4OS and a molecular weight of 408.49 g/mol. Its IUPAC name is 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene.

Molecular Properties

Compound Name8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene
PubChem CID59358965
Molecular FormulaC24H16N4OS
Molecular Weight408.49 g/mol
Exact Mass408.10
IUPAC Name8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene
SMILESCCn1c2ccccc2c2cc(-c3occ4c3c3ncsc3n3ccnc43)ccc21
InChIInChI=1S/C24H16N4OS/c1-2-27-18-6-4-3-5-15(18)16-11-14(7-8-19(16)27)22-20-17(12-29-22)23-25-9-10-28(23)24-21(20)26-13-30-24/h3-13H,2H2,1H3
InChIKeyTXWFMDJRYOTOQZ-UHFFFAOYSA-N
XLogP6.49
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
The IUPAC name of 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene (CID 59358965) is 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene.
What is the SMILES notation for 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
The canonical SMILES for 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene is CCn1c2ccccc2c2cc(-c3occ4c3c3ncsc3n3ccnc43)ccc21.
What is the InChIKey of 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
The InChIKey is TXWFMDJRYOTOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4OS/c1-2-27-18-6-4-3-5-15(18)16-11-14(7-8-19(16)27)22-20-17(12-29-22)23-25-9-10-28(23)24-21(20)26-13-30-24/h3-13H,2H2,1H3.
What are the key properties of 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene has a molecular weight of 408.49 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-ethylcarbazol-3-yl)-9-oxa-3-thia-1,5,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene is sourced from PubChem (CID 59358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).