3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide

C26H23NO3S — CID 117071010

IUPAC3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide
SMILESO=S1(=O)CC2CNC1C1C2C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12
InChIInChI=1S/C26H23NO3S/c28-31(29)16-17-15-27-24(31)23-22(17)25(18-9-3-1-4-10-18)20-13-7-8-14-21(20)26(23,30-25)19-11-5-2-6-12-19/h1-14,17,22-24,27H,15-16H2
InChIKeyFEFYYVWOHFNCLG-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.42
Rot. Bonds2

About 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide

3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide (PubChem CID 117071010) has the molecular formula C26H23NO3S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide.

Molecular Properties

Compound Name3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide
PubChem CID117071010
Molecular FormulaC26H23NO3S
Molecular Weight429.54 g/mol
Exact Mass429.14
IUPAC Name3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide
SMILESO=S1(=O)CC2CNC1C1C2C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12
InChIInChI=1S/C26H23NO3S/c28-31(29)16-17-15-27-24(31)23-22(17)25(18-9-3-1-4-10-18)20-13-7-8-14-21(20)26(23,30-25)19-11-5-2-6-12-19/h1-14,17,22-24,27H,15-16H2
InChIKeyFEFYYVWOHFNCLG-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide 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

CID 99962039
CID 99962039
CID 99962041
CID 99962041
CID 124536782
CID 124536782
CID 125033828
CID 125033828

Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide?
The IUPAC name of 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide (CID 117071010) is 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide.
What is the SMILES notation for 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide?
The canonical SMILES for 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide is O=S1(=O)CC2CNC1C1C2C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12.
What is the InChIKey of 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide?
The InChIKey is FEFYYVWOHFNCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3S/c28-31(29)16-17-15-27-24(31)23-22(17)25(18-9-3-1-4-10-18)20-13-7-8-14-21(20)26(23,30-25)19-11-5-2-6-12-19/h1-14,17,22-24,27H,15-16H2.
What are the key properties of 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide?
3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide has a molecular weight of 429.54 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyl-17-oxa-13λ6-thia-16-azapentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8-triene 13,13-dioxide is sourced from PubChem (CID 117071010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).