2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid

C21H14Br2N2O2 — CID 22025396

IUPAC2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
SMILESCn1c2ccc(Br)cc2c2cc3c4cc(Br)ccc4n(C)c3c(C(=O)O)c21
InChIInChI=1S/C21H14Br2N2O2/c1-24-16-5-3-10(22)7-12(16)14-9-15-13-8-11(23)4-6-17(13)25(2)20(15)18(19(14)24)21(26)27/h3-9H,1-2H3,(H,26,27)
InChIKeyTVWMYMNRKKBLIZ-UHFFFAOYSA-N
MW486.16 g/mol
LogP6.20
Rot. Bonds1

About 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid

2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid (PubChem CID 22025396) has the molecular formula C21H14Br2N2O2 and a molecular weight of 486.16 g/mol. Its IUPAC name is 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid.

Molecular Properties

Compound Name2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
PubChem CID22025396
Molecular FormulaC21H14Br2N2O2
Molecular Weight486.16 g/mol
Exact Mass483.94
IUPAC Name2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
SMILESCn1c2ccc(Br)cc2c2cc3c4cc(Br)ccc4n(C)c3c(C(=O)O)c21
InChIInChI=1S/C21H14Br2N2O2/c1-24-16-5-3-10(22)7-12(16)14-9-15-13-8-11(23)4-6-17(13)25(2)20(15)18(19(14)24)21(26)27/h3-9H,1-2H3,(H,26,27)
InChIKeyTVWMYMNRKKBLIZ-UHFFFAOYSA-N
XLogP6.20
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.16
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid?
The IUPAC name of 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid (CID 22025396) is 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid.
What is the SMILES notation for 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid?
The canonical SMILES for 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid is Cn1c2ccc(Br)cc2c2cc3c4cc(Br)ccc4n(C)c3c(C(=O)O)c21.
What is the InChIKey of 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid?
The InChIKey is TVWMYMNRKKBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2N2O2/c1-24-16-5-3-10(22)7-12(16)14-9-15-13-8-11(23)4-6-17(13)25(2)20(15)18(19(14)24)21(26)27/h3-9H,1-2H3,(H,26,27).
What are the key properties of 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid?
2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid has a molecular weight of 486.16 g/mol, XLogP of 6.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid is sourced from PubChem (CID 22025396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).