4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine

C26H25Br2N3O2 — CID 59238876

IUPAC4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine
SMILESBrc1ccc2[nH]c3c(OCCCCN4CCOCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1
InChIInChI=1S/C26H25Br2N3O2/c27-16-3-5-22-18(13-16)20-15-21-19-14-17(28)4-6-23(19)30-25(21)26(24(20)29-22)33-10-2-1-7-31-8-11-32-12-9-31/h3-6,13-15,29-30H,1-2,7-12H2
InChIKeyYWIXAONBATTWLC-UHFFFAOYSA-N
MW571.31 g/mol
LogP6.97
Rot. Bonds6

About 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine

4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine (PubChem CID 59238876) has the molecular formula C26H25Br2N3O2 and a molecular weight of 571.31 g/mol. Its IUPAC name is 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine
PubChem CID59238876
Molecular FormulaC26H25Br2N3O2
Molecular Weight571.31 g/mol
Exact Mass569.03
IUPAC Name4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine
SMILESBrc1ccc2[nH]c3c(OCCCCN4CCOCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1
InChIInChI=1S/C26H25Br2N3O2/c27-16-3-5-22-18(13-16)20-15-21-19-14-17(28)4-6-23(19)30-25(21)26(24(20)29-22)33-10-2-1-7-31-8-11-32-12-9-31/h3-6,13-15,29-30H,1-2,7-12H2
InChIKeyYWIXAONBATTWLC-UHFFFAOYSA-N
XLogP6.97
TPSA53.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.31
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine?
The IUPAC name of 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine (CID 59238876) is 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine.
What is the SMILES notation for 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine?
The canonical SMILES for 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine is Brc1ccc2[nH]c3c(OCCCCN4CCOCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1.
What is the InChIKey of 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine?
The InChIKey is YWIXAONBATTWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Br2N3O2/c27-16-3-5-22-18(13-16)20-15-21-19-14-17(28)4-6-23(19)30-25(21)26(24(20)29-22)33-10-2-1-7-31-8-11-32-12-9-31/h3-6,13-15,29-30H,1-2,7-12H2.
What are the key properties of 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine?
4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine has a molecular weight of 571.31 g/mol, XLogP of 6.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]butyl]morpholine is sourced from PubChem (CID 59238876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).