6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C33H22N2O2 — CID 169025629

IUPAC6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESCc1cc(Oc2cccc(-c3ccccn3)c2)cc(-c2nccc3c2Oc2cccc4cccc-3c24)c1
InChIInChI=1S/C33H22N2O2/c1-21-17-24(20-26(18-21)36-25-10-4-9-23(19-25)29-12-2-3-15-34-29)32-33-28(14-16-35-32)27-11-5-7-22-8-6-13-30(37-33)31(22)27/h2-20H,1H3
InChIKeyGZJKIVSLOKFRCA-UHFFFAOYSA-N
MW478.55 g/mol
LogP8.84
Rot. Bonds4

About 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 169025629) has the molecular formula C33H22N2O2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID169025629
Molecular FormulaC33H22N2O2
Molecular Weight478.55 g/mol
Exact Mass478.17
IUPAC Name6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESCc1cc(Oc2cccc(-c3ccccn3)c2)cc(-c2nccc3c2Oc2cccc4cccc-3c24)c1
InChIInChI=1S/C33H22N2O2/c1-21-17-24(20-26(18-21)36-25-10-4-9-23(19-25)29-12-2-3-15-34-29)32-33-28(14-16-35-32)27-11-5-7-22-8-6-13-30(37-33)31(22)27/h2-20H,1H3
InChIKeyGZJKIVSLOKFRCA-UHFFFAOYSA-N
XLogP8.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Related Compounds

2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
CID 139363753
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
CID 162771209
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 176590347
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 164936862
2-[3-(2-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562312
2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
CID 157104232
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 165161147

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 169025629) is 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is Cc1cc(Oc2cccc(-c3ccccn3)c2)cc(-c2nccc3c2Oc2cccc4cccc-3c24)c1.
What is the InChIKey of 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is GZJKIVSLOKFRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O2/c1-21-17-24(20-26(18-21)36-25-10-4-9-23(19-25)29-12-2-3-15-34-29)32-33-28(14-16-35-32)27-11-5-7-22-8-6-13-30(37-33)31(22)27/h2-20H,1H3.
What are the key properties of 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 478.55 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]-8-oxa-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 169025629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).