3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione

C27H19N3O3 — CID 19429599

IUPAC3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione
SMILESO=C1C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C(=O)N1OCc1ccccc1
InChIInChI=1S/C27H19N3O3/c31-26-24(20-14-28-22-12-6-4-10-18(20)22)25(21-15-29-23-13-7-5-11-19(21)23)27(32)30(26)33-16-17-8-2-1-3-9-17/h1-15,28-29H,16H2
InChIKeyQWEIOZQBVVVHRB-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.06
Rot. Bonds5

About 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione

3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione (PubChem CID 19429599) has the molecular formula C27H19N3O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione
PubChem CID19429599
Molecular FormulaC27H19N3O3
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC Name3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione
SMILESO=C1C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C(=O)N1OCc1ccccc1
InChIInChI=1S/C27H19N3O3/c31-26-24(20-14-28-22-12-6-4-10-18(20)22)25(21-15-29-23-13-7-5-11-19(21)23)27(32)30(26)33-16-17-8-2-1-3-9-17/h1-15,28-29H,16H2
InChIKeyQWEIOZQBVVVHRB-UHFFFAOYSA-N
XLogP5.06
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione?
The IUPAC name of 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione (CID 19429599) is 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione is O=C1C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C(=O)N1OCc1ccccc1.
What is the InChIKey of 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione?
The InChIKey is QWEIOZQBVVVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3/c31-26-24(20-14-28-22-12-6-4-10-18(20)22)25(21-15-29-23-13-7-5-11-19(21)23)27(32)30(26)33-16-17-8-2-1-3-9-17/h1-15,28-29H,16H2.
What are the key properties of 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione?
3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione has a molecular weight of 433.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-indol-3-yl)-1-phenylmethoxypyrrole-2,5-dione is sourced from PubChem (CID 19429599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).