2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine

C21H17Br2N3O — CID 59238897

IUPAC2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine
SMILESCNCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C21H17Br2N3O/c1-24-6-7-27-21-19-15(13-8-11(22)2-4-17(13)25-19)10-16-14-9-12(23)3-5-18(14)26-20(16)21/h2-5,8-10,24-26H,6-7H2,1H3
InChIKeyQXWORUWCQZWVAL-UHFFFAOYSA-N
MW487.20 g/mol
LogP6.08
Rot. Bonds4

About 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine

2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine (PubChem CID 59238897) has the molecular formula C21H17Br2N3O and a molecular weight of 487.20 g/mol. Its IUPAC name is 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine
PubChem CID59238897
Molecular FormulaC21H17Br2N3O
Molecular Weight487.20 g/mol
Exact Mass484.97
IUPAC Name2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine
SMILESCNCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C21H17Br2N3O/c1-24-6-7-27-21-19-15(13-8-11(22)2-4-17(13)25-19)10-16-14-9-12(23)3-5-18(14)26-20(16)21/h2-5,8-10,24-26H,6-7H2,1H3
InChIKeyQXWORUWCQZWVAL-UHFFFAOYSA-N
XLogP6.08
TPSA52.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.20
LogP ≤ 56.08
H-Bond Donors ≤ 53
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-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine?
The IUPAC name of 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine (CID 59238897) is 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine.
What is the SMILES notation for 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine?
The canonical SMILES for 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine is CNCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine?
The InChIKey is QXWORUWCQZWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2N3O/c1-24-6-7-27-21-19-15(13-8-11(22)2-4-17(13)25-19)10-16-14-9-12(23)3-5-18(14)26-20(16)21/h2-5,8-10,24-26H,6-7H2,1H3.
What are the key properties of 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine?
2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine has a molecular weight of 487.20 g/mol, XLogP of 6.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N-methylethanamine is sourced from PubChem (CID 59238897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).