8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C26H16N2OS — CID 168721165

IUPAC8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cccc(Oc3cc4c5ncccc5sc4c4ccccc34)c2)nc1
InChIInChI=1S/C26H16N2OS/c1-2-10-20-19(9-1)23(16-21-25-24(30-26(20)21)12-6-14-28-25)29-18-8-5-7-17(15-18)22-11-3-4-13-27-22/h1-16H
InChIKeyWLDFMRHZJJXWPV-UHFFFAOYSA-N
MW404.49 g/mol
LogP7.46
Rot. Bonds3

About 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 168721165) has the molecular formula C26H16N2OS and a molecular weight of 404.49 g/mol. Its IUPAC name is 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID168721165
Molecular FormulaC26H16N2OS
Molecular Weight404.49 g/mol
Exact Mass404.10
IUPAC Name8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cccc(Oc3cc4c5ncccc5sc4c4ccccc34)c2)nc1
InChIInChI=1S/C26H16N2OS/c1-2-10-20-19(9-1)23(16-21-25-24(30-26(20)21)12-6-14-28-25)29-18-8-5-7-17(15-18)22-11-3-4-13-27-22/h1-16H
InChIKeyWLDFMRHZJJXWPV-UHFFFAOYSA-N
XLogP7.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
2-[3-(2-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562312
11-(3-pyridin-2-ylphenoxy)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene
CID 158397199
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
(3-pyridin-2-ylphenyl) hypoiodite
CID 143814721
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
[1]benzothiolo[3,2-b]pyridine
CID 174218515
6-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 177115898
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
21,21-diphenyl-14-[3-(3-pyridin-2-ylphenoxy)phenyl]-9-thia-14-aza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162482875
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 171583138

Frequently Asked Questions

What is the IUPAC name of 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 168721165) is 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1ccc(-c2cccc(Oc3cc4c5ncccc5sc4c4ccccc34)c2)nc1.
What is the InChIKey of 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is WLDFMRHZJJXWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2OS/c1-2-10-20-19(9-1)23(16-21-25-24(30-26(20)21)12-6-14-28-25)29-18-8-5-7-17(15-18)22-11-3-4-13-27-22/h1-16H.
What are the key properties of 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 404.49 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pyridin-2-ylphenoxy)-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 168721165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).