6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene

C24H16OS2 — CID 10810089

IUPAC6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
SMILESc1ccc(-c2ccc3c(c2)Sc2ccccc2Sc2ccccc2O3)cc1
InChIInChI=1S/C24H16OS2/c1-2-8-17(9-3-1)18-14-15-20-24(16-18)27-23-13-7-6-12-22(23)26-21-11-5-4-10-19(21)25-20/h1-16H
InChIKeyFSTQKOVIVDNGTK-UHFFFAOYSA-N
MW384.53 g/mol
LogP7.76
Rot. Bonds1

About 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene

6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene (PubChem CID 10810089) has the molecular formula C24H16OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene.

Molecular Properties

Compound Name6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
PubChem CID10810089
Molecular FormulaC24H16OS2
Molecular Weight384.53 g/mol
Exact Mass384.06
IUPAC Name6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
SMILESc1ccc(-c2ccc3c(c2)Sc2ccccc2Sc2ccccc2O3)cc1
InChIInChI=1S/C24H16OS2/c1-2-8-17(9-3-1)18-14-15-20-24(16-18)27-23-13-7-6-12-22(23)26-21-11-5-4-10-19(21)25-20/h1-16H
InChIKeyFSTQKOVIVDNGTK-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene with MolForge

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Related Compounds

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CID 88923670
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CID 88923827
6-bromo-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 10691601
2-[5-(2,6-diphenylpyrimidin-4-yl)-2-phenoxathiin-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 174257791
2,6-dimethyl-1-phenoxathiin-2-yl-4-phenylpyridin-1-ium perchlorate
CID 10696142
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CID 166714584
2-phenoxathiin-2-yl-6-triphenylen-2-ylpyridine
CID 88923267
3-phenoxathiin-2-yl-4,5-dihydro-1H-pyridazin-6-one
CID 71374989
5,24-diphenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaene
CID 118860906
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CID 88923210
ethane;methanamine;2-phenyldibenzo-p-dioxin
CID 144875802
N-(4-phenoxathiin-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
The IUPAC name of 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene (CID 10810089) is 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene.
What is the SMILES notation for 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
The canonical SMILES for 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene is c1ccc(-c2ccc3c(c2)Sc2ccccc2Sc2ccccc2O3)cc1.
What is the InChIKey of 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
The InChIKey is FSTQKOVIVDNGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16OS2/c1-2-8-17(9-3-1)18-14-15-20-24(16-18)27-23-13-7-6-12-22(23)26-21-11-5-4-10-19(21)25-20/h1-16H.
What are the key properties of 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene?
6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene has a molecular weight of 384.53 g/mol, XLogP of 7.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene is sourced from PubChem (CID 10810089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).