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

C61H40N4O10 — CID 118969524

IUPAC2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)cc5)cc3)C4=O)cc2C1=O
InChIInChI=1S/C61H40N4O10/c1-61(2,37-9-17-41(18-10-37)74-43-21-13-39(14-22-43)64-57(70)47-27-7-35(31-51(47)59(64)72)33-5-25-45-49(29-33)55(68)62(3)53(45)66)38-11-19-42(20-12-38)75-44-23-15-40(16-24-44)65-58(71)48-28-8-36(32-52(48)60(65)73)34-6-26-46-50(30-34)56(69)63(4)54(46)67/h5-32H,1-4H3
InChIKeyJWKRHNZVCOTPRK-UHFFFAOYSA-N
MW989.01 g/mol
LogP10.98
Rot. Bonds10

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

2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (PubChem CID 118969524) has the molecular formula C61H40N4O10 and a molecular weight of 989.01 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
PubChem CID118969524
Molecular FormulaC61H40N4O10
Molecular Weight989.01 g/mol
Exact Mass988.27
IUPAC Name2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)cc5)cc3)C4=O)cc2C1=O
InChIInChI=1S/C61H40N4O10/c1-61(2,37-9-17-41(18-10-37)74-43-21-13-39(14-22-43)64-57(70)47-27-7-35(31-51(47)59(64)72)33-5-25-45-49(29-33)55(68)62(3)53(45)66)38-11-19-42(20-12-38)75-44-23-15-40(16-24-44)65-58(71)48-28-8-36(32-52(48)60(65)73)34-6-26-46-50(30-34)56(69)63(4)54(46)67/h5-32H,1-4H3
InChIKeyJWKRHNZVCOTPRK-UHFFFAOYSA-N
XLogP10.98
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.01
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (CID 118969524) is 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)cc5)cc3)C4=O)cc2C1=O.
What is the InChIKey of 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The InChIKey is JWKRHNZVCOTPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O10/c1-61(2,37-9-17-41(18-10-37)74-43-21-13-39(14-22-43)64-57(70)47-27-7-35(31-51(47)59(64)72)33-5-25-45-49(29-33)55(68)62(3)53(45)66)38-11-19-42(20-12-38)75-44-23-15-40(16-24-44)65-58(71)48-28-8-36(32-52(48)60(65)73)34-6-26-46-50(30-34)56(69)63(4)54(46)67/h5-32H,1-4H3.
What are the key properties of 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione has a molecular weight of 989.01 g/mol, XLogP of 10.98, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[4-[2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 118969524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).