2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione

C30H20N2O6 — CID 6454553

IUPAC2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O
InChIInChI=1S/C30H20N2O6/c1-31-27(33)23-13-11-21(15-25(23)29(31)35)37-19-7-3-17(4-8-19)18-5-9-20(10-6-18)38-22-12-14-24-26(16-22)30(36)32(2)28(24)34/h3-16H,1-2H3
InChIKeySWUJSSMOGIHXPZ-UHFFFAOYSA-N
MW504.50 g/mol
LogP5.39
Rot. Bonds5

About 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione

2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione (PubChem CID 6454553) has the molecular formula C30H20N2O6 and a molecular weight of 504.50 g/mol. Its IUPAC name is 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione
PubChem CID6454553
Molecular FormulaC30H20N2O6
Molecular Weight504.50 g/mol
Exact Mass504.13
IUPAC Name2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O
InChIInChI=1S/C30H20N2O6/c1-31-27(33)23-13-11-21(15-25(23)29(31)35)37-19-7-3-17(4-8-19)18-5-9-20(10-6-18)38-22-12-14-24-26(16-22)30(36)32(2)28(24)34/h3-16H,1-2H3
InChIKeySWUJSSMOGIHXPZ-UHFFFAOYSA-N
XLogP5.39
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione (CID 6454553) is 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione is CN1C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.
What is the InChIKey of 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione?
The InChIKey is SWUJSSMOGIHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O6/c1-31-27(33)23-13-11-21(15-25(23)29(31)35)37-19-7-3-17(4-8-19)18-5-9-20(10-6-18)38-22-12-14-24-26(16-22)30(36)32(2)28(24)34/h3-16H,1-2H3.
What are the key properties of 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione?
2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione has a molecular weight of 504.50 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 6454553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).