3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine

C23H21Br2N3O — CID 59238887

IUPAC3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C23H21Br2N3O/c1-28(2)8-3-9-29-23-21-17(15-10-13(24)4-6-19(15)26-21)12-18-16-11-14(25)5-7-20(16)27-22(18)23/h4-7,10-12,26-27H,3,8-9H2,1-2H3
InChIKeyCCATVZAVYJWPRX-UHFFFAOYSA-N
MW515.25 g/mol
LogP6.81
Rot. Bonds5

About 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine

3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 59238887) has the molecular formula C23H21Br2N3O and a molecular weight of 515.25 g/mol. Its IUPAC name is 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID59238887
Molecular FormulaC23H21Br2N3O
Molecular Weight515.25 g/mol
Exact Mass513.01
IUPAC Name3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C23H21Br2N3O/c1-28(2)8-3-9-29-23-21-17(15-10-13(24)4-6-19(15)26-21)12-18-16-11-14(25)5-7-20(16)27-22(18)23/h4-7,10-12,26-27H,3,8-9H2,1-2H3
InChIKeyCCATVZAVYJWPRX-UHFFFAOYSA-N
XLogP6.81
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.25
LogP ≤ 56.81
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 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine (CID 59238887) is 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is CCATVZAVYJWPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2N3O/c1-28(2)8-3-9-29-23-21-17(15-10-13(24)4-6-19(15)26-21)12-18-16-11-14(25)5-7-20(16)27-22(18)23/h4-7,10-12,26-27H,3,8-9H2,1-2H3.
What are the key properties of 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 515.25 g/mol, XLogP of 6.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 59238887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).