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

C28H19NO3 — CID 71456868

IUPAC12-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
SMILESOc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c32)c2ccccc12
InChIInChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2
InChIKeyUAEAEQPMGPMIFQ-UHFFFAOYSA-N
MW417.46 g/mol
LogP7.09
Rot. Bonds4

About 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

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 (PubChem CID 71456868) has the molecular formula C28H19NO3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID71456868
Molecular FormulaC28H19NO3
Molecular Weight417.46 g/mol
Exact Mass417.14
IUPAC Name12-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
SMILESOc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c32)c2ccccc12
InChIInChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2
InChIKeyUAEAEQPMGPMIFQ-UHFFFAOYSA-N
XLogP7.09
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

3-Acetyl-6-hydroxy-4-phenylbenzo[4,3-b]pyridine
CID 403993
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
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
6-Methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine
CID 71455067
4-Phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
CID 46702565
Benfluorene
CID 403994
1-Aza-9-oxafluorene deriv. 7a
CID 406461
7-Methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
CID 71456867

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c32)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is UAEAEQPMGPMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2.
What are the key properties of 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?
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 has a molecular weight of 417.46 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71456868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).