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

C30H18N2O2 — CID 158397199

IUPAC11-(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
SMILESc1ccc(-c2cccc(Oc3cc4c(ccc5cccnc54)c4c3oc3ccccc34)c2)nc1
InChIInChI=1S/C30H18N2O2/c1-2-12-26-23(10-1)28-22-14-13-19-8-6-16-32-29(19)24(22)18-27(30(28)34-26)33-21-9-5-7-20(17-21)25-11-3-4-15-31-25/h1-18H
InChIKeyMUEHZMVUQBAOBV-UHFFFAOYSA-N
MW438.49 g/mol
LogP8.14
Rot. Bonds3

About 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

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 (PubChem CID 158397199) has the molecular formula C30H18N2O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-(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
PubChem CID158397199
Molecular FormulaC30H18N2O2
Molecular Weight438.49 g/mol
Exact Mass438.14
IUPAC Name11-(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
SMILESc1ccc(-c2cccc(Oc3cc4c(ccc5cccnc54)c4c3oc3ccccc34)c2)nc1
InChIInChI=1S/C30H18N2O2/c1-2-12-26-23(10-1)28-22-14-13-19-8-6-16-32-29(19)24(22)18-27(30(28)34-26)33-21-9-5-7-20(17-21)25-11-3-4-15-31-25/h1-18H
InChIKeyMUEHZMVUQBAOBV-UHFFFAOYSA-N
XLogP8.14
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

11-[3-[5-(trideuteriomethyl)-2-pyridinyl]phenoxy]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14(19),15,17,20-decaene
CID 158805068
11-[3-[3-[2,6-di(propan-2-yl)phenyl]-3H-pyrrol-2-yl]phenoxy]-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 159378826
11-[3-[4-methyl-5-(trideuteriomethyl)-2-pyridinyl]phenoxy]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14(19),15,17,20-decaene
CID 158805069
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
CID 164721118
CID 164721118
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
4-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaen-5-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 147189699
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
16-[3-[5-(trideuteriomethyl)-2-pyridinyl]phenoxy]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene
CID 159166828
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 139406317
2-[3-(2-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562312

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(Oc3cc4c(ccc5cccnc54)c4c3oc3ccccc34)c2)nc1.
What is the InChIKey of 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?
The InChIKey is MUEHZMVUQBAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O2/c1-2-12-26-23(10-1)28-22-14-13-19-8-6-16-32-29(19)24(22)18-27(30(28)34-26)33-21-9-5-7-20(17-21)25-11-3-4-15-31-25/h1-18H.
What are the key properties of 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?
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 has a molecular weight of 438.49 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158397199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).