1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione

C32H27N3O5 — CID 175230704

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3cc[nH]c3)=C(c3c[nH]c4cc(OCc5ccccc5)ccc34)C2=O)c(OC)c1
InChIInChI=1S/C32H27N3O5/c1-38-23-9-8-22(28(15-23)39-2)18-35-31(36)29(21-12-13-33-16-21)30(32(35)37)26-17-34-27-14-24(10-11-25(26)27)40-19-20-6-4-3-5-7-20/h3-17,33-34H,18-19H2,1-2H3
InChIKeySXJFNRVDAYOWLG-UHFFFAOYSA-N
MW533.58 g/mol
LogP5.57
Rot. Bonds9

About 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione

1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione (PubChem CID 175230704) has the molecular formula C32H27N3O5 and a molecular weight of 533.58 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione
PubChem CID175230704
Molecular FormulaC32H27N3O5
Molecular Weight533.58 g/mol
Exact Mass533.20
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3cc[nH]c3)=C(c3c[nH]c4cc(OCc5ccccc5)ccc34)C2=O)c(OC)c1
InChIInChI=1S/C32H27N3O5/c1-38-23-9-8-22(28(15-23)39-2)18-35-31(36)29(21-12-13-33-16-21)30(32(35)37)26-17-34-27-14-24(10-11-25(26)27)40-19-20-6-4-3-5-7-20/h3-17,33-34H,18-19H2,1-2H3
InChIKeySXJFNRVDAYOWLG-UHFFFAOYSA-N
XLogP5.57
TPSA96.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.58
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-[(2,4-dimethoxyphenyl)methyl]-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 155256525
3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 54708548
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871895
3-[3-(6-methoxy-1H-indol-3-yl)-4-(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]propanenitrile
CID 23221069
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325
1-[(4-tert-butylphenyl)methyl]-3,4-bis(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149578
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
3,4-bis(1H-indol-3-yl)-1-(phenylmethoxymethyl)pyrrole-2,5-dione
CID 54317988
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione (CID 175230704) is 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione is COc1ccc(CN2C(=O)C(c3cc[nH]c3)=C(c3c[nH]c4cc(OCc5ccccc5)ccc34)C2=O)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione?
The InChIKey is SXJFNRVDAYOWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O5/c1-38-23-9-8-22(28(15-23)39-2)18-35-31(36)29(21-12-13-33-16-21)30(32(35)37)26-17-34-27-14-24(10-11-25(26)27)40-19-20-6-4-3-5-7-20/h3-17,33-34H,18-19H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione?
1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione has a molecular weight of 533.58 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-phenylmethoxy-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 175230704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).