15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene

C31H27NO5 — CID 166593623

IUPAC15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
SMILESCOc1ccc(-c2cc3c4c(nc5ccccc5c4c2)CC(c2cc(OC)c(OC)c(OC)c2)O3)cc1
InChIInChI=1S/C31H27NO5/c1-33-21-11-9-18(10-12-21)19-13-23-22-7-5-6-8-24(22)32-25-17-26(37-27(14-19)30(23)25)20-15-28(34-2)31(36-4)29(16-20)35-3/h5-16,26H,17H2,1-4H3
InChIKeyGYAAORMLZPKDCY-UHFFFAOYSA-N
MW493.56 g/mol
LogP6.77
Rot. Bonds6

About 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene

15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene (PubChem CID 166593623) has the molecular formula C31H27NO5 and a molecular weight of 493.56 g/mol. Its IUPAC name is 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene.

Molecular Properties

Compound Name15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
PubChem CID166593623
Molecular FormulaC31H27NO5
Molecular Weight493.56 g/mol
Exact Mass493.19
IUPAC Name15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
SMILESCOc1ccc(-c2cc3c4c(nc5ccccc5c4c2)CC(c2cc(OC)c(OC)c(OC)c2)O3)cc1
InChIInChI=1S/C31H27NO5/c1-33-21-11-9-18(10-12-21)19-13-23-22-7-5-6-8-24(22)32-25-17-26(37-27(14-19)30(23)25)20-15-28(34-2)31(36-4)29(16-20)35-3/h5-16,26H,17H2,1-4H3
InChIKeyGYAAORMLZPKDCY-UHFFFAOYSA-N
XLogP6.77
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The IUPAC name of 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene (CID 166593623) is 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene.
What is the SMILES notation for 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The canonical SMILES for 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene is COc1ccc(-c2cc3c4c(nc5ccccc5c4c2)CC(c2cc(OC)c(OC)c(OC)c2)O3)cc1.
What is the InChIKey of 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The InChIKey is GYAAORMLZPKDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO5/c1-33-21-11-9-18(10-12-21)19-13-23-22-7-5-6-8-24(22)32-25-17-26(37-27(14-19)30(23)25)20-15-28(34-2)31(36-4)29(16-20)35-3/h5-16,26H,17H2,1-4H3.
What are the key properties of 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene?
15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene has a molecular weight of 493.56 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-12-oxa-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene is sourced from PubChem (CID 166593623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).