2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole

C21H16Br2N2O2 — CID 59238921

IUPAC2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C21H16Br2N2O2/c1-26-6-7-27-21-19-15(13-8-11(22)2-4-17(13)24-19)10-16-14-9-12(23)3-5-18(14)25-20(16)21/h2-5,8-10,24-25H,6-7H2,1H3
InChIKeyCCWNNOYOFMKLJV-UHFFFAOYSA-N
MW488.18 g/mol
LogP6.51
Rot. Bonds4

About 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole

2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238921) has the molecular formula C21H16Br2N2O2 and a molecular weight of 488.18 g/mol. Its IUPAC name is 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238921
Molecular FormulaC21H16Br2N2O2
Molecular Weight488.18 g/mol
Exact Mass485.96
IUPAC Name2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C21H16Br2N2O2/c1-26-6-7-27-21-19-15(13-8-11(22)2-4-17(13)24-19)10-16-14-9-12(23)3-5-18(14)25-20(16)21/h2-5,8-10,24-25H,6-7H2,1H3
InChIKeyCCWNNOYOFMKLJV-UHFFFAOYSA-N
XLogP6.51
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.18
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole (CID 59238921) is 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole is COCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is CCWNNOYOFMKLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2N2O2/c1-26-6-7-27-21-19-15(13-8-11(22)2-4-17(13)24-19)10-16-14-9-12(23)3-5-18(14)25-20(16)21/h2-5,8-10,24-25H,6-7H2,1H3.
What are the key properties of 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 488.18 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).