12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol

C21H13NO3 — CID 71451533

IUPAC12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol
SMILESOc1cnc2oc3c4ccccc4c(O)cc3c2c1-c1ccccc1
InChIInChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
InChIKeyULWKEYMEZWWCRY-UHFFFAOYSA-N
MW327.34 g/mol
LogP5.21
Rot. Bonds1

About 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol

12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol (PubChem CID 71451533) has the molecular formula C21H13NO3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol.

Molecular Properties

Compound Name12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol
PubChem CID71451533
Molecular FormulaC21H13NO3
Molecular Weight327.34 g/mol
Exact Mass327.09
IUPAC Name12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol
SMILESOc1cnc2oc3c4ccccc4c(O)cc3c2c1-c1ccccc1
InChIInChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
InChIKeyULWKEYMEZWWCRY-UHFFFAOYSA-N
XLogP5.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.34
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol with MolForge

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Related Compounds

3-Acetyl-6-hydroxy-4-phenylbenzo[4,3-b]pyridine
CID 403993
1-{[(E)-Pyridin-4-ylmethylimino]-methyl}-6,7,8,9-tetrahydro-dibenzofuran-2-ol
CID 916087
6-Hydroxy-3-methoxy-4-phenylbenzo[4,3-b]pyridine
CID 406462
1-Aza-9-oxafluorene deriv. 7c
CID 6538869
1-Aza-9-oxafluorene deriv. 7d
CID 6538870
1-Aza-9-oxafluorene deriv. 7e
CID 6538871
4-Phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol
CID 51000510
6-Methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine
CID 71455067
12-Phenyl-13-phenylmethoxy-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol
CID 71456868
2-(5-Hydroxy-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162664122
[1]Benzofuro[2,3-b]pyridin-4-ylmethanol
CID 1042736
4-Phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
CID 46702565

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol?
The IUPAC name of 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol (CID 71451533) is 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol.
What is the SMILES notation for 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol?
The canonical SMILES for 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol is Oc1cnc2oc3c4ccccc4c(O)cc3c2c1-c1ccccc1.
What is the InChIKey of 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol?
The InChIKey is ULWKEYMEZWWCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H.
What are the key properties of 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol?
12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol has a molecular weight of 327.34 g/mol, XLogP of 5.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol is sourced from PubChem (CID 71451533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).