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

C24H21F2N3O2 — CID 59238906

IUPAC4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine
SMILESFc1ccc2[nH]c3c(OCCN4CCOCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C24H21F2N3O2/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)28-23(19)24(22(18)27-20)31-10-7-29-5-8-30-9-6-29/h1-4,11-13,27-28H,5-10H2
InChIKeyKIUHPTXNWAROJA-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.94
Rot. Bonds4

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

4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine (PubChem CID 59238906) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine
PubChem CID59238906
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine
SMILESFc1ccc2[nH]c3c(OCCN4CCOCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1
InChIInChI=1S/C24H21F2N3O2/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)28-23(19)24(22(18)27-20)31-10-7-29-5-8-30-9-6-29/h1-4,11-13,27-28H,5-10H2
InChIKeyKIUHPTXNWAROJA-UHFFFAOYSA-N
XLogP4.94
TPSA53.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine (CID 59238906) is 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine is Fc1ccc2[nH]c3c(OCCN4CCOCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1.
What is the InChIKey of 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine?
The InChIKey is KIUHPTXNWAROJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)28-23(19)24(22(18)27-20)31-10-7-29-5-8-30-9-6-29/h1-4,11-13,27-28H,5-10H2.
What are the key properties of 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine?
4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine has a molecular weight of 421.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]morpholine is sourced from PubChem (CID 59238906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).