3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione

C38H34N4O4 — CID 22409597

IUPAC3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCn1cc(C2=C(c3c[nH]c4ccc(OCc5ccccc5)cc34)C(=O)NC2=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C38H34N4O4/c1-41(2)17-18-42-22-32(30-20-28(14-16-34(30)42)46-24-26-11-7-4-8-12-26)36-35(37(43)40-38(36)44)31-21-39-33-15-13-27(19-29(31)33)45-23-25-9-5-3-6-10-25/h3-16,19-22,39H,17-18,23-24H2,1-2H3,(H,40,43,44)
InChIKeyVTISCJXMIYEKTB-UHFFFAOYSA-N
MW610.71 g/mol
LogP6.41
Rot. Bonds11

About 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione

3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409597) has the molecular formula C38H34N4O4 and a molecular weight of 610.71 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409597
Molecular FormulaC38H34N4O4
Molecular Weight610.71 g/mol
Exact Mass610.26
IUPAC Name3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCn1cc(C2=C(c3c[nH]c4ccc(OCc5ccccc5)cc34)C(=O)NC2=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C38H34N4O4/c1-41(2)17-18-42-22-32(30-20-28(14-16-34(30)42)46-24-26-11-7-4-8-12-26)36-35(37(43)40-38(36)44)31-21-39-33-15-13-27(19-29(31)33)45-23-25-9-5-3-6-10-25/h3-16,19-22,39H,17-18,23-24H2,1-2H3,(H,40,43,44)
InChIKeyVTISCJXMIYEKTB-UHFFFAOYSA-N
XLogP6.41
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409335
3-[3-[2,5-dioxo-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrol-3-yl]-5-phenylmethoxyindol-1-yl]propyl carbamimidothioate
CID 22410276
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409711
3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308770
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 18947115
3-[1-(1-amino-3-ethyl-2-hydroxypentan-3-yl)-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 67768882
3-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652
3-(1H-indol-3-yl)-4-[6-phenylmethoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 22409575
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(5-phenylmethoxyindol-1-yl)pyrrole-2,5-dione
CID 11692096
3-[5-[3-(dimethylamino)-2-hydroxy-3-phenylmethoxypropyl]-1H-indol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 67768522
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione (CID 22409597) is 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione is CN(C)CCn1cc(C2=C(c3c[nH]c4ccc(OCc5ccccc5)cc34)C(=O)NC2=O)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is VTISCJXMIYEKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O4/c1-41(2)17-18-42-22-32(30-20-28(14-16-34(30)42)46-24-26-11-7-4-8-12-26)36-35(37(43)40-38(36)44)31-21-39-33-15-13-27(19-29(31)33)45-23-25-9-5-3-6-10-25/h3-16,19-22,39H,17-18,23-24H2,1-2H3,(H,40,43,44).
What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 610.71 g/mol, XLogP of 6.41, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).