(Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine

C28H21N5O3 — CID 6226102

IUPAC(Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N\OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1
InChIInChI=1S/C28H21N5O3/c1-34-22-15-9-8-14-21(22)16-30-35-17-23-31-27-25-24(19-10-4-2-5-11-19)26(20-12-6-3-7-13-20)36-28(25)29-18-33(27)32-23/h2-16,18H,17H2,1H3/b30-16-
InChIKeyUJFYTDDGPRBHJC-UHBFCERESA-N
MW475.51 g/mol
LogP5.76
Rot. Bonds7

About (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine

(Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine (PubChem CID 6226102) has the molecular formula C28H21N5O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine
PubChem CID6226102
Molecular FormulaC28H21N5O3
Molecular Weight475.51 g/mol
Exact Mass475.16
IUPAC Name(Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N\OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1
InChIInChI=1S/C28H21N5O3/c1-34-22-15-9-8-14-21(22)16-30-35-17-23-31-27-25-24(19-10-4-2-5-11-19)26(20-12-6-3-7-13-20)36-28(25)29-18-33(27)32-23/h2-16,18H,17H2,1H3/b30-16-
InChIKeyUJFYTDDGPRBHJC-UHBFCERESA-N
XLogP5.76
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine 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 (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine?
The IUPAC name of (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine (CID 6226102) is (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine is COc1ccccc1/C=N\OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1.
What is the InChIKey of (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine?
The InChIKey is UJFYTDDGPRBHJC-UHBFCERESA-N. The full InChI is InChI=1S/C28H21N5O3/c1-34-22-15-9-8-14-21(22)16-30-35-17-23-31-27-25-24(19-10-4-2-5-11-19)26(20-12-6-3-7-13-20)36-28(25)29-18-33(27)32-23/h2-16,18H,17H2,1H3/b30-16-.
What are the key properties of (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine?
(Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine has a molecular weight of 475.51 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 6226102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).