2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione

C29H23NO5 — CID 134565945

IUPAC2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione
SMILESCOc1ccc(C(ON2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H23NO5/c1-33-23-16-12-21(13-17-23)29(20-8-4-3-5-9-20,22-14-18-24(34-2)19-15-22)35-30-27(31)25-10-6-7-11-26(25)28(30)32/h3-19H,1-2H3
InChIKeyPFTNGNFRMJDGCJ-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.22
Rot. Bonds7

About 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione

2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione (PubChem CID 134565945) has the molecular formula C29H23NO5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione
PubChem CID134565945
Molecular FormulaC29H23NO5
Molecular Weight465.51 g/mol
Exact Mass465.16
IUPAC Name2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione
SMILESCOc1ccc(C(ON2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H23NO5/c1-33-23-16-12-21(13-17-23)29(20-8-4-3-5-9-20,22-14-18-24(34-2)19-15-22)35-30-27(31)25-10-6-7-11-26(25)28(30)32/h3-19H,1-2H3
InChIKeyPFTNGNFRMJDGCJ-UHFFFAOYSA-N
XLogP5.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]isoindole-1,3-dione;ethane
CID 144822259
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide
CID 57300621
1-methoxy-4-[nitroso(diphenyl)methyl]benzene
CID 88893098
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 66624353
3-benzylidene-2-(4-methoxyphenyl)isoindol-1-one
CID 3569909
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione (CID 134565945) is 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione is COc1ccc(C(ON2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione?
The InChIKey is PFTNGNFRMJDGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5/c1-33-23-16-12-21(13-17-23)29(20-8-4-3-5-9-20,22-14-18-24(34-2)19-15-22)35-30-27(31)25-10-6-7-11-26(25)28(30)32/h3-19H,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione?
2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione has a molecular weight of 465.51 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione is sourced from PubChem (CID 134565945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).