1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione

C38H35N3O6Si — CID 10842045

IUPAC1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione
SMILESCC1=C(C2=C(C3=C(C)C(=O)N(Cc4ccccc4)C3=O)C(=O)N(Cc3ccc([Si](C)(C)C)cc3)C2=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C38H35N3O6Si/c1-23-29(35(44)39(33(23)42)20-25-12-8-6-9-13-25)31-32(30-24(2)34(43)40(36(30)45)21-26-14-10-7-11-15-26)38(47)41(37(31)46)22-27-16-18-28(19-17-27)48(3,4)5/h6-19H,20-22H2,1-5H3
InChIKeyWVRGDCYLMQNHEL-UHFFFAOYSA-N
MW657.80 g/mol
LogP4.17
Rot. Bonds9

About 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione

1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione (PubChem CID 10842045) has the molecular formula C38H35N3O6Si and a molecular weight of 657.80 g/mol. Its IUPAC name is 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione
PubChem CID10842045
Molecular FormulaC38H35N3O6Si
Molecular Weight657.80 g/mol
Exact Mass657.23
IUPAC Name1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione
SMILESCC1=C(C2=C(C3=C(C)C(=O)N(Cc4ccccc4)C3=O)C(=O)N(Cc3ccc([Si](C)(C)C)cc3)C2=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C38H35N3O6Si/c1-23-29(35(44)39(33(23)42)20-25-12-8-6-9-13-25)31-32(30-24(2)34(43)40(36(30)45)21-26-14-10-7-11-15-26)38(47)41(37(31)46)22-27-16-18-28(19-17-27)48(3,4)5/h6-19H,20-22H2,1-5H3
InChIKeyWVRGDCYLMQNHEL-UHFFFAOYSA-N
XLogP4.17
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.80
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione with MolForge

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Related Compounds

1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977
1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione
CID 141451883
1-benzyl-3,4-bis(1,2-dimethylindol-3-yl)pyrrole-2,5-dione
CID 101396833
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651
1-benzyl-5-(2-phenylethyl)-4-trimethylsilylpyrrole-2,3-dione
CID 10044271
1-benzyl-3-chloro-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584853
2,5-bis[(4-butan-2-ylphenyl)methyl]-1,4-diphenylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 54573953
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
4-amino-2-benzyl-7-methylisoindole-1,3-dione
CID 176943897
2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one
CID 103438545
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
1-benzyl-3-bromo-4-(2-ethylphenyl)pyrrole-2,5-dione
CID 71662302

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione (CID 10842045) is 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione is CC1=C(C2=C(C3=C(C)C(=O)N(Cc4ccccc4)C3=O)C(=O)N(Cc3ccc([Si](C)(C)C)cc3)C2=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione?
The InChIKey is WVRGDCYLMQNHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O6Si/c1-23-29(35(44)39(33(23)42)20-25-12-8-6-9-13-25)31-32(30-24(2)34(43)40(36(30)45)21-26-14-10-7-11-15-26)38(47)41(37(31)46)22-27-16-18-28(19-17-27)48(3,4)5/h6-19H,20-22H2,1-5H3.
What are the key properties of 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione?
1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione has a molecular weight of 657.80 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(1-benzyl-4-methyl-2,5-dioxopyrrol-3-yl)-2,5-dioxo-1-[(4-trimethylsilylphenyl)methyl]pyrrol-3-yl]-4-methylpyrrole-2,5-dione is sourced from PubChem (CID 10842045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).