2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine

C158H136N4O10 — CID 160903270

IUPAC2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccccc2)c(C(=C=Nc2ccccc2)c2cc(C(C)(C)c3ccccc3)ccc2Oc2ccccc2)c1.COc1cc(Oc2ccccc2)ccc1C(=C=Nc1ccccc1)c1ccc(Oc2ccccc2)cc1OC.COc1ccc(-c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(-c2ccccc2)ccc1OC.COc1ccc(C(C)(C)c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(C(C)(C)c2ccccc2)ccc1OC
InChIInChI=1S/C50H43NO2.C40H39NO2.C34H27NO4.C34H27NO2/c1-49(2,37-20-10-5-11-21-37)39-30-32-47(52-42-26-16-8-17-27-42)44(34-39)46(36-51-41-24-14-7-15-25-41)45-35-40(50(3,4)38-22-12-6-13-23-38)31-33-48(45)53-43-28-18-9-19-29-43;1-39(2,29-16-10-7-11-17-29)31-22-24-37(42-5)34(26-31)36(28-41-33-20-14-9-15-21-33)35-27-32(23-25-38(35)43-6)40(3,4)30-18-12-8-13-19-30;1-36-33-22-28(38-26-14-8-4-9-15-26)18-20-30(33)32(24-35-25-12-6-3-7-13-25)31-21-19-29(23-34(31)37-2)39-27-16-10-5-11-17-27;1-36-33-20-18-27(25-12-6-3-7-13-25)22-30(33)32(24-35-29-16-10-5-11-17-29)31-23-28(19-21-34(31)37-2)26-14-8-4-9-15-26/h5-35H,1-4H3;7-27H,1-6H3;3-23H,1-2H3;3-23H,1-2H3
InChIKeySPUHOPYACFEUPT-UHFFFAOYSA-N
MW2250.84 g/mol
LogP40.34
Rot. Bonds36

About 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine

2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine (PubChem CID 160903270) has the molecular formula C158H136N4O10 and a molecular weight of 2250.84 g/mol. Its IUPAC name is 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine.

Molecular Properties

Compound Name2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
PubChem CID160903270
Molecular FormulaC158H136N4O10
Molecular Weight2250.84 g/mol
Exact Mass2249.03
IUPAC Name2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccccc2)c(C(=C=Nc2ccccc2)c2cc(C(C)(C)c3ccccc3)ccc2Oc2ccccc2)c1.COc1cc(Oc2ccccc2)ccc1C(=C=Nc1ccccc1)c1ccc(Oc2ccccc2)cc1OC.COc1ccc(-c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(-c2ccccc2)ccc1OC.COc1ccc(C(C)(C)c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(C(C)(C)c2ccccc2)ccc1OC
InChIInChI=1S/C50H43NO2.C40H39NO2.C34H27NO4.C34H27NO2/c1-49(2,37-20-10-5-11-21-37)39-30-32-47(52-42-26-16-8-17-27-42)44(34-39)46(36-51-41-24-14-7-15-25-41)45-35-40(50(3,4)38-22-12-6-13-23-38)31-33-48(45)53-43-28-18-9-19-29-43;1-39(2,29-16-10-7-11-17-29)31-22-24-37(42-5)34(26-31)36(28-41-33-20-14-9-15-21-33)35-27-32(23-25-38(35)43-6)40(3,4)30-18-12-8-13-19-30;1-36-33-22-28(38-26-14-8-4-9-15-26)18-20-30(33)32(24-35-25-12-6-3-7-13-25)31-21-19-29(23-34(31)37-2)39-27-16-10-5-11-17-27;1-36-33-20-18-27(25-12-6-3-7-13-25)22-30(33)32(24-35-29-16-10-5-11-17-29)31-23-28(19-21-34(31)37-2)26-14-8-4-9-15-26/h5-35H,1-4H3;7-27H,1-6H3;3-23H,1-2H3;3-23H,1-2H3
InChIKeySPUHOPYACFEUPT-UHFFFAOYSA-N
XLogP40.34
TPSA141.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.84
LogP ≤ 540.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine 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 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
The IUPAC name of 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine (CID 160903270) is 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine.
What is the SMILES notation for 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
The canonical SMILES for 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine is CC(C)(c1ccccc1)c1ccc(Oc2ccccc2)c(C(=C=Nc2ccccc2)c2cc(C(C)(C)c3ccccc3)ccc2Oc2ccccc2)c1.COc1cc(Oc2ccccc2)ccc1C(=C=Nc1ccccc1)c1ccc(Oc2ccccc2)cc1OC.COc1ccc(-c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(-c2ccccc2)ccc1OC.COc1ccc(C(C)(C)c2ccccc2)cc1C(=C=Nc1ccccc1)c1cc(C(C)(C)c2ccccc2)ccc1OC.
What is the InChIKey of 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
The InChIKey is SPUHOPYACFEUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43NO2.C40H39NO2.C34H27NO4.C34H27NO2/c1-49(2,37-20-10-5-11-21-37)39-30-32-47(52-42-26-16-8-17-27-42)44(34-39)46(36-51-41-24-14-7-15-25-41)45-35-40(50(3,4)38-22-12-6-13-23-38)31-33-48(45)53-43-28-18-9-19-29-43;1-39(2,29-16-10-7-11-17-29)31-22-24-37(42-5)34(26-31)36(28-41-33-20-14-9-15-21-33)35-27-32(23-25-38(35)43-6)40(3,4)30-18-12-8-13-19-30;1-36-33-22-28(38-26-14-8-4-9-15-26)18-20-30(33)32(24-35-25-12-6-3-7-13-25)31-21-19-29(23-34(31)37-2)39-27-16-10-5-11-17-27;1-36-33-20-18-27(25-12-6-3-7-13-25)22-30(33)32(24-35-29-16-10-5-11-17-29)31-23-28(19-21-34(31)37-2)26-14-8-4-9-15-26/h5-35H,1-4H3;7-27H,1-6H3;3-23H,1-2H3;3-23H,1-2H3.
What are the key properties of 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine?
2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine has a molecular weight of 2250.84 g/mol, XLogP of 40.34, 36 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methoxy-4-phenoxyphenyl)-N-phenylethenimine;2,2-bis(2-methoxy-5-phenylphenyl)-N-phenylethenimine;2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine;2,2-bis[2-phenoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine is sourced from PubChem (CID 160903270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).