5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione

C79H60N2O6Po2 — CID 143602400

About 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione

5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione (PubChem CID 143602400) has the molecular formula C79H60N2O6Po2 and a molecular weight of 1551.36 g/mol. Its IUPAC name is 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione
• PubChem CID: 143602400
• Molecular Formula: C79H60N2O6Po2
• Molecular Weight: 1551.36 g/mol
• Exact Mass: 1550.41
• IUPAC Name: 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione
• SMILES: CC(C)(C1=CC=C(Oc2ccc3c(c2)C(=O)N(c2cccc([Po](c4ccccc4)(c4ccccc4)c4ccccc4)c2)C3=O)CC1)c1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc([Po](c4ccccc4)(c4ccccc4)c4ccccc4)c2)C3=O)cc1
• InChI: InChI=1S/C43H30N2O6.6C6H5.2Po/c1-43(2,27-13-17-31(18-14-27)50-33-21-23-35-37(25-33)41(48)44(39(35)46)29-9-5-3-6-10-29)28-15-19-32(20-16-28)51-34-22-24-36-38(26-34)42(49)45(40(36)47)30-11-7-4-8-12-30;6*1-2-4-6-5-3-1;;/h3-5,7,9-15,17-19,21-26H,16,20H2,1-2H3;6*1-5H
• InChIKey: UOMXUYYNZXLKOZ-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 93.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1551.36
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione?

The IUPAC name of 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione (CID 143602400) is 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione.

What is the SMILES notation for 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione?

The canonical SMILES for 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione is CC(C)(C1=CC=C(Oc2ccc3c(c2)C(=O)N(c2cccc([Po](c4ccccc4)(c4ccccc4)c4ccccc4)c2)C3=O)CC1)c1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc([Po](c4ccccc4)(c4ccccc4)c4ccccc4)c2)C3=O)cc1.

What is the InChIKey of 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione?

The InChIKey is UOMXUYYNZXLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O6.6C6H5.2Po/c1-43(2,27-13-17-31(18-14-27)50-33-21-23-35-37(25-33)41(48)44(39(35)46)29-9-5-3-6-10-29)28-15-19-32(20-16-28)51-34-22-24-36-38(26-34)42(49)45(40(36)47)30-11-7-4-8-12-30;6*1-2-4-6-5-3-1;;/h3-5,7,9-15,17-19,21-26H,16,20H2,1-2H3;6*1-5H;;.

What are the key properties of 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione?

5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione has a molecular weight of 1551.36 g/mol, XLogP of 11.80, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 143602400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).