3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione

C29H23N3O3 — CID 5327675

IUPAC3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccc(OCc5ccccc5)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C29H23N3O3/c1-31-15-22(20-10-6-7-11-24(20)31)26-27(29(34)30-28(26)33)23-16-32(2)25-13-12-19(14-21(23)25)35-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3,(H,30,33,34)
InChIKeyVVOIKNNKVBSZJQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.82
Rot. Bonds5

About 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327675) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione
PubChem CID5327675
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccc(OCc5ccccc5)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C29H23N3O3/c1-31-15-22(20-10-6-7-11-24(20)31)26-27(29(34)30-28(26)33)23-16-32(2)25-13-12-19(14-21(23)25)35-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3,(H,30,33,34)
InChIKeyVVOIKNNKVBSZJQ-UHFFFAOYSA-N
XLogP4.82
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione (CID 5327675) is 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(C)c4ccc(OCc5ccccc5)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione?
The InChIKey is VVOIKNNKVBSZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-31-15-22(20-10-6-7-11-24(20)31)26-27(29(34)30-28(26)33)23-16-32(2)25-13-12-19(14-21(23)25)35-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3,(H,30,33,34).
What are the key properties of 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione has a molecular weight of 461.52 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(1-methyl-5-phenylmethoxyindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).