5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one

C28H19Br2NO — CID 70008434

IUPAC5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one
SMILESCC1=C(c2ccc3ccccc3c2)c2ccccc2C1C1C(=O)Nc2c(Br)cc(Br)cc21
InChIInChI=1S/C28H19Br2NO/c1-15-24(18-11-10-16-6-2-3-7-17(16)12-18)20-8-4-5-9-21(20)25(15)26-22-13-19(29)14-23(30)27(22)31-28(26)32/h2-14,25-26H,1H3,(H,31,32)
InChIKeyJWUWOPZJMKWTSM-UHFFFAOYSA-N
MW545.27 g/mol
LogP8.02
Rot. Bonds2

About 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one

5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one (PubChem CID 70008434) has the molecular formula C28H19Br2NO and a molecular weight of 545.27 g/mol. Its IUPAC name is 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one
PubChem CID70008434
Molecular FormulaC28H19Br2NO
Molecular Weight545.27 g/mol
Exact Mass542.98
IUPAC Name5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one
SMILESCC1=C(c2ccc3ccccc3c2)c2ccccc2C1C1C(=O)Nc2c(Br)cc(Br)cc21
InChIInChI=1S/C28H19Br2NO/c1-15-24(18-11-10-16-6-2-3-7-17(16)12-18)20-8-4-5-9-21(20)25(15)26-22-13-19(29)14-23(30)27(22)31-28(26)32/h2-14,25-26H,1H3,(H,31,32)
InChIKeyJWUWOPZJMKWTSM-UHFFFAOYSA-N
XLogP8.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.27
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one (CID 70008434) is 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one is CC1=C(c2ccc3ccccc3c2)c2ccccc2C1C1C(=O)Nc2c(Br)cc(Br)cc21.
What is the InChIKey of 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is JWUWOPZJMKWTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Br2NO/c1-15-24(18-11-10-16-6-2-3-7-17(16)12-18)20-8-4-5-9-21(20)25(15)26-22-13-19(29)14-23(30)27(22)31-28(26)32/h2-14,25-26H,1H3,(H,31,32).
What are the key properties of 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one?
5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 545.27 g/mol, XLogP of 8.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 70008434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).