3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

C24H16N2S — CID 165160549

IUPAC3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C24H16N2S/c1-15-10-11-21-18(12-15)16-6-2-4-8-20(16)26(21)24-13-19-17-7-3-5-9-22(17)27-23(19)14-25-24/h2-14H,1H3
InChIKeyYYUQDOGCRRUTMC-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.86
Rot. Bonds1

About 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (PubChem CID 165160549) has the molecular formula C24H16N2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
PubChem CID165160549
Molecular FormulaC24H16N2S
Molecular Weight364.47 g/mol
Exact Mass364.10
IUPAC Name3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cc2c(cn1)sc1ccccc12
InChIInChI=1S/C24H16N2S/c1-15-10-11-21-18(12-15)16-6-2-4-8-20(16)26(21)24-13-19-17-7-3-5-9-22(17)27-23(19)14-25-24/h2-14H,1H3
InChIKeyYYUQDOGCRRUTMC-UHFFFAOYSA-N
XLogP6.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane
CID 156664882
3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
CID 59413762
30-isoquinolin-3-yl-5-thia-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361055
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
11-pyridin-2-yl-[1]benzothiolo[3,2-b]carbazole
CID 118488537
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163823418
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
18-methyl-14-pyrimidin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 121287181
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502886
9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
CID 126754707

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (CID 165160549) is 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is Cc1ccc2c(c1)c1ccccc1n2-c1cc2c(cn1)sc1ccccc12.
What is the InChIKey of 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is YYUQDOGCRRUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2S/c1-15-10-11-21-18(12-15)16-6-2-4-8-20(16)26(21)24-13-19-17-7-3-5-9-22(17)27-23(19)14-25-24/h2-14H,1H3.
What are the key properties of 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 364.47 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 165160549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).