6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C23H16S — CID 176780010

IUPAC6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCc1cccc2c1Sc1c(-c3ccccc3)ccc3cccc-2c13
InChIInChI=1S/C23H16S/c1-15-7-5-12-20-19-11-6-10-17-13-14-18(16-8-3-2-4-9-16)23(21(17)19)24-22(15)20/h2-14H,1H3
InChIKeyOEZVZRDRHNVQQD-UHFFFAOYSA-N
MW324.45 g/mol
LogP6.95
Rot. Bonds1

About 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 176780010) has the molecular formula C23H16S and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID176780010
Molecular FormulaC23H16S
Molecular Weight324.45 g/mol
Exact Mass324.10
IUPAC Name6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCc1cccc2c1Sc1c(-c3ccccc3)ccc3cccc-2c13
InChIInChI=1S/C23H16S/c1-15-7-5-12-20-19-11-6-10-17-13-14-18(16-8-3-2-4-9-16)23(21(17)19)24-22(15)20/h2-14H,1H3
InChIKeyOEZVZRDRHNVQQD-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

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CID 173150668
12-(6-phenylpyren-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
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CID 170026283
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 176780010) is 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is Cc1cccc2c1Sc1c(-c3ccccc3)ccc3cccc-2c13.
What is the InChIKey of 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is OEZVZRDRHNVQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16S/c1-15-7-5-12-20-19-11-6-10-17-13-14-18(16-8-3-2-4-9-16)23(21(17)19)24-22(15)20/h2-14H,1H3.
What are the key properties of 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 324.45 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-phenyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 176780010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).