8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C23H14N2S2 — CID 134952531

IUPAC8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1csc(-c2c(-c3cccs3)c3c(nc4ccccn43)c3ccccc23)c1
InChIInChI=1S/C23H14N2S2/c1-2-8-16-15(7-1)20(17-9-5-13-26-17)21(18-10-6-14-27-18)23-22(16)24-19-11-3-4-12-25(19)23/h1-14H
InChIKeyMOTGZWLVFITFFS-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.10
Rot. Bonds2

About 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 134952531) has the molecular formula C23H14N2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID134952531
Molecular FormulaC23H14N2S2
Molecular Weight382.51 g/mol
Exact Mass382.06
IUPAC Name8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1csc(-c2c(-c3cccs3)c3c(nc4ccccn43)c3ccccc23)c1
InChIInChI=1S/C23H14N2S2/c1-2-8-16-15(7-1)20(17-9-5-13-26-17)21(18-10-6-14-27-18)23-22(16)24-19-11-3-4-12-25(19)23/h1-14H
InChIKeyMOTGZWLVFITFFS-UHFFFAOYSA-N
XLogP7.10
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

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3-(3,4-Dimethylphenyl)-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
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CID 44377555
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CID 44528755
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CID 51359381
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Frequently Asked Questions

What is the IUPAC name of 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 134952531) is 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1csc(-c2c(-c3cccs3)c3c(nc4ccccn43)c3ccccc23)c1.
What is the InChIKey of 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is MOTGZWLVFITFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2S2/c1-2-8-16-15(7-1)20(17-9-5-13-26-17)21(18-10-6-14-27-18)23-22(16)24-19-11-3-4-12-25(19)23/h1-14H.
What are the key properties of 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 382.51 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dithiophen-2-yl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 134952531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).