3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione

C22H13BrN2O2 — CID 102042854

IUPAC3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)=C1Br
InChIInChI=1S/C22H13BrN2O2/c23-19-18(21(26)25-22(19)27)17-15-7-3-4-8-16(15)24-20(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,24H,(H,25,26,27)
InChIKeyZDLCKUCGRALROW-UHFFFAOYSA-N
MW417.26 g/mol
LogP4.75
Rot. Bonds2

About 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione

3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 102042854) has the molecular formula C22H13BrN2O2 and a molecular weight of 417.26 g/mol. Its IUPAC name is 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID102042854
Molecular FormulaC22H13BrN2O2
Molecular Weight417.26 g/mol
Exact Mass416.02
IUPAC Name3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)=C1Br
InChIInChI=1S/C22H13BrN2O2/c23-19-18(21(26)25-22(19)27)17-15-7-3-4-8-16(15)24-20(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,24H,(H,25,26,27)
InChIKeyZDLCKUCGRALROW-UHFFFAOYSA-N
XLogP4.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11522357
3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11688308
3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11596060
3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole
CID 170874148
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one
CID 11278424
2-naphthalen-2-yl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-1H-indol-3-one
CID 10815248
N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
CID 122183517
(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one
CID 69007488
CID 87602032
CID 87602032
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione (CID 102042854) is 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)=C1Br.
What is the InChIKey of 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is ZDLCKUCGRALROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2O2/c23-19-18(21(26)25-22(19)27)17-15-7-3-4-8-16(15)24-20(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,24H,(H,25,26,27).
What are the key properties of 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione?
3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 417.26 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 102042854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).