8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene

C21H11NS2 — CID 145354069

IUPAC8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene
SMILESc1cnc2c(c1)Sc1cccc3c1c-2cc1c2ccccc2sc31
InChIInChI=1S/C21H11NS2/c1-2-7-16-12(5-1)14-11-15-19-13(21(14)24-16)6-3-8-17(19)23-18-9-4-10-22-20(15)18/h1-11H
InChIKeyGLDOKOFHXSHFNW-UHFFFAOYSA-N
MW341.46 g/mol
LogP6.73
Rot. Bonds

About 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene

8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene (PubChem CID 145354069) has the molecular formula C21H11NS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene.

Molecular Properties

Compound Name8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene
PubChem CID145354069
Molecular FormulaC21H11NS2
Molecular Weight341.46 g/mol
Exact Mass341.03
IUPAC Name8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene
SMILESc1cnc2c(c1)Sc1cccc3c1c-2cc1c2ccccc2sc31
InChIInChI=1S/C21H11NS2/c1-2-7-16-12(5-1)14-11-15-19-13(21(14)24-16)6-3-8-17(19)23-18-9-4-10-22-20(15)18/h1-11H
InChIKeyGLDOKOFHXSHFNW-UHFFFAOYSA-N
XLogP6.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101157
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299145
30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene
CID 164714022
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
4-(7-dibenzothiophen-4-yldibenzothiophen-3-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177297928
2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine
CID 162700550
6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 155101137
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
2-dibenzothiophen-4-yl-4-(2-dibenzothiophen-4-yl-3-pyridinyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163566700
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101082
17-dibenzothiophen-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27-tetradecaene
CID 134428652
10-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858379

Frequently Asked Questions

What is the IUPAC name of 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
The IUPAC name of 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene (CID 145354069) is 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene.
What is the SMILES notation for 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
The canonical SMILES for 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene is c1cnc2c(c1)Sc1cccc3c1c-2cc1c2ccccc2sc31.
What is the InChIKey of 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
The InChIKey is GLDOKOFHXSHFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11NS2/c1-2-7-16-12(5-1)14-11-15-19-13(21(14)24-16)6-3-8-17(19)23-18-9-4-10-22-20(15)18/h1-11H.
What are the key properties of 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene has a molecular weight of 341.46 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene is sourced from PubChem (CID 145354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).