5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione

C21H16Br2N2O4 — CID 139227607

IUPAC5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCN2C(=O)C(=O)c3cc(Br)ccc32)c2ccc(Br)cc21
InChIInChI=1S/C21H16Br2N2O4/c22-12-4-6-16-14(10-12)18(26)20(28)24(16)8-2-1-3-9-25-17-7-5-13(23)11-15(17)19(27)21(25)29/h4-7,10-11H,1-3,8-9H2
InChIKeyPGJGDBRAPHGBEI-UHFFFAOYSA-N
MW520.18 g/mol
LogP4.14
Rot. Bonds6

About 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione

5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione (PubChem CID 139227607) has the molecular formula C21H16Br2N2O4 and a molecular weight of 520.18 g/mol. Its IUPAC name is 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
PubChem CID139227607
Molecular FormulaC21H16Br2N2O4
Molecular Weight520.18 g/mol
Exact Mass517.95
IUPAC Name5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCN2C(=O)C(=O)c3cc(Br)ccc32)c2ccc(Br)cc21
InChIInChI=1S/C21H16Br2N2O4/c22-12-4-6-16-14(10-12)18(26)20(28)24(16)8-2-1-3-9-25-17-7-5-13(23)11-15(17)19(27)21(25)29/h4-7,10-11H,1-3,8-9H2
InChIKeyPGJGDBRAPHGBEI-UHFFFAOYSA-N
XLogP4.14
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione with MolForge

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Related Compounds

5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
CID 63579731
3-(5-bromo-2,3-dioxoindol-1-yl)propanamide
CID 43152576
5-bromo-1-[3-(cyclopropylamino)propyl]indole-2,3-dione
CID 61387405
5-(5-bromo-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
CID 65255661
5-bromo-1-(2-tert-butylsulfonylethyl)indole-2,3-dione
CID 106726034
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
CID 66338418
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
5-bromo-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione
CID 18802877
5-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
5-fluoro-1-heptylindole-2,3-dione
CID 43129613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
The IUPAC name of 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione (CID 139227607) is 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione is O=C1C(=O)N(CCCCCN2C(=O)C(=O)c3cc(Br)ccc32)c2ccc(Br)cc21.
What is the InChIKey of 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
The InChIKey is PGJGDBRAPHGBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2N2O4/c22-12-4-6-16-14(10-12)18(26)20(28)24(16)8-2-1-3-9-25-17-7-5-13(23)11-15(17)19(27)21(25)29/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione has a molecular weight of 520.18 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione is sourced from PubChem (CID 139227607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).