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

C15H9NO — CID 138661052

IUPAC17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc2c(c1)ccc1c3ncccc3oc21
InChIInChI=1S/C15H9NO/c1-2-5-11-10(4-1)7-8-12-14-13(17-15(11)12)6-3-9-16-14/h1-9H
InChIKeyLBMVTPKSQSZQHV-UHFFFAOYSA-N
MW219.24 g/mol
LogP4.13
Rot. Bonds

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

17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 138661052) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is 17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID138661052
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Name17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc2c(c1)ccc1c3ncccc3oc21
InChIInChI=1S/C15H9NO/c1-2-5-11-10(4-1)7-8-12-14-13(17-15(11)12)6-3-9-16-14/h1-9H
InChIKeyLBMVTPKSQSZQHV-UHFFFAOYSA-N
XLogP4.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14690181
N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 167171709
N-(3-phenylphenyl)-N-(4-phenylphenyl)-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171774
N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 163825897
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168745979
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782
CID 174063651
CID 174063651
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104
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Frequently Asked Questions

What is the IUPAC name of 17-oxa-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 17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 138661052) is 17-oxa-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 17-oxa-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 17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1ccc2c(c1)ccc1c3ncccc3oc21.
What is the InChIKey of 17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is LBMVTPKSQSZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c1-2-5-11-10(4-1)7-8-12-14-13(17-15(11)12)6-3-9-16-14/h1-9H.
What are the key properties of 17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
17-oxa-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 219.24 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-oxa-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 138661052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).