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

C25H23Br2N3O2 — CID 45136983

IUPAC4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine
SMILESBrc1ccc2[nH]c3c(OCCCN4CCOCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1
InChIInChI=1S/C25H23Br2N3O2/c26-15-2-4-21-17(12-15)19-14-20-18-13-16(27)3-5-22(18)29-24(20)25(23(19)28-21)32-9-1-6-30-7-10-31-11-8-30/h2-5,12-14,28-29H,1,6-11H2
InChIKeyRBFRQAMTNJDDEJ-UHFFFAOYSA-N
MW557.29 g/mol
LogP6.58
Rot. Bonds5

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

4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine (PubChem CID 45136983) has the molecular formula C25H23Br2N3O2 and a molecular weight of 557.29 g/mol. Its IUPAC name is 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine
PubChem CID45136983
Molecular FormulaC25H23Br2N3O2
Molecular Weight557.29 g/mol
Exact Mass555.02
IUPAC Name4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine
SMILESBrc1ccc2[nH]c3c(OCCCN4CCOCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1
InChIInChI=1S/C25H23Br2N3O2/c26-15-2-4-21-17(12-15)19-14-20-18-13-16(27)3-5-22(18)29-24(20)25(23(19)28-21)32-9-1-6-30-7-10-31-11-8-30/h2-5,12-14,28-29H,1,6-11H2
InChIKeyRBFRQAMTNJDDEJ-UHFFFAOYSA-N
XLogP6.58
TPSA53.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.29
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine (CID 45136983) is 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine is Brc1ccc2[nH]c3c(OCCCN4CCOCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1.
What is the InChIKey of 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine?
The InChIKey is RBFRQAMTNJDDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Br2N3O2/c26-15-2-4-21-17(12-15)19-14-20-18-13-16(27)3-5-22(18)29-24(20)25(23(19)28-21)32-9-1-6-30-7-10-31-11-8-30/h2-5,12-14,28-29H,1,6-11H2.
What are the key properties of 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine?
4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine has a molecular weight of 557.29 g/mol, XLogP of 6.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]morpholine is sourced from PubChem (CID 45136983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).