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

C24H23F2N3O — CID 45139068

IUPAC2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C24H23F2N3O/c1-3-29(4-2)9-10-30-24-22-18(16-11-14(25)5-7-20(16)27-22)13-19-17-12-15(26)6-8-21(17)28-23(19)24/h5-8,11-13,27-28H,3-4,9-10H2,1-2H3
InChIKeyRBNBXNJHIQTVSV-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.95
Rot. Bonds6

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

2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine (PubChem CID 45139068) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine
PubChem CID45139068
Molecular FormulaC24H23F2N3O
Molecular Weight407.46 g/mol
Exact Mass407.18
IUPAC Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C24H23F2N3O/c1-3-29(4-2)9-10-30-24-22-18(16-11-14(25)5-7-20(16)27-22)13-19-17-12-15(26)6-8-21(17)28-23(19)24/h5-8,11-13,27-28H,3-4,9-10H2,1-2H3
InChIKeyRBNBXNJHIQTVSV-UHFFFAOYSA-N
XLogP5.95
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine (CID 45139068) is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine is CCN(CC)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine?
The InChIKey is RBNBXNJHIQTVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O/c1-3-29(4-2)9-10-30-24-22-18(16-11-14(25)5-7-20(16)27-22)13-19-17-12-15(26)6-8-21(17)28-23(19)24/h5-8,11-13,27-28H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine?
2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine has a molecular weight of 407.46 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine is sourced from PubChem (CID 45139068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).