bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)

C224H238N18O24S6 — CID 157132881

About bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)

bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole) (PubChem CID 157132881) has the molecular formula C224H238N18O24S6 and a molecular weight of 3758.87 g/mol. Its IUPAC name is bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole).

Molecular Properties

• Compound Name: bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)
• PubChem CID: 157132881
• Molecular Formula: C224H238N18O24S6
• Molecular Weight: 3758.87 g/mol
• Exact Mass: 3755.63
• IUPAC Name: bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)
• SMILES: COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2cc(-c3nc4ccccc4s3)ccc2C)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2cc(-c3nc4ccccc4s3)ccc2C)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1
• InChI: InChI=1S/2C38H41N3O4S.4C37H39N3O4S/c2*1-26-10-14-31(38-39-32-8-6-7-9-37(32)46-38)23-34(26)44-24-40-16-18-41(19-17-40)25-45-36-21-29(13-15-33(36)42-4)11-12-30-20-27(2)28(3)35(22-30)43-5;4*1-26-21-29(23-34(42-4)27(26)2)10-9-28-11-16-33(41-3)35(22-28)44-25-40-19-17-39(18-20-40)24-43-31-14-12-30(13-15-31)37-38-32-7-5-6-8-36(32)45-37/h2*6-15,20-23H,16-19,24-25H2,1-5H3;4*5-16,21-23H,17-20,24-25H2,1-4H3/b2*12-11-;4*10-9-
• InChIKey: AJGXDXUZCAGFTL-OMUDTXMDSA-N
• XLogP: 47.17
• TPSA: 337.74 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 66
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3758.87
LogP ≤ 5	47.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)?

The IUPAC name of bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole) (CID 157132881) is bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole).

What is the SMILES notation for bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)?

The canonical SMILES for bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole) is COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2cc(-c3nc4ccccc4s3)ccc2C)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2cc(-c3nc4ccccc4s3)ccc2C)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1.COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1OCN1CCN(COc2ccc(-c3nc4ccccc4s3)cc2)CC1.

What is the InChIKey of bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)?

The InChIKey is AJGXDXUZCAGFTL-OMUDTXMDSA-N. The full InChI is InChI=1S/2C38H41N3O4S.4C37H39N3O4S/c2*1-26-10-14-31(38-39-32-8-6-7-9-37(32)46-38)23-34(26)44-24-40-16-18-41(19-17-40)25-45-36-21-29(13-15-33(36)42-4)11-12-30-20-27(2)28(3)35(22-30)43-5;4*1-26-21-29(23-34(42-4)27(26)2)10-9-28-11-16-33(41-3)35(22-28)44-25-40-19-17-39(18-20-40)24-43-31-14-12-30(13-15-31)37-38-32-7-5-6-8-36(32)45-37/h2*6-15,20-23H,16-19,24-25H2,1-5H3;4*5-16,21-23H,17-20,24-25H2,1-4H3/b2*12-11-;4*10-9-.

What are the key properties of bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole)?

bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole) has a molecular weight of 3758.87 g/mol, XLogP of 47.17, 66 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[3-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]-4-methylphenyl]-1,3-benzothiazole);tetrakis(2-[4-[[4-[[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenoxy]methyl]piperazin-1-yl]methoxy]phenyl]-1,3-benzothiazole) is sourced from PubChem (CID 157132881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).