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

C23H22F2N3O+ — CID 59238902

IUPAC2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H22F2N3O/c1-28(2,3)8-9-29-23-21-17(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,8-9H2,1-3H3/q+1
InChIKeyQWUKOCUWGRHWAJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.32
Rot. Bonds4

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

2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium (PubChem CID 59238902) has the molecular formula C23H22F2N3O+ and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium
PubChem CID59238902
Molecular FormulaC23H22F2N3O+
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H22F2N3O/c1-28(2,3)8-9-29-23-21-17(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,8-9H2,1-3H3/q+1
InChIKeyQWUKOCUWGRHWAJ-UHFFFAOYSA-N
XLogP5.32
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

SR 13668
CID 9845566
1-methoxy-3-methyl-9H-carbazole
CID 375150
US10221173, Example 10
CID 135277085
US10221173, Example 24
CID 135343569
Murrastifoline F
CID 10432278
Carbonic acid, 5,7-dihydroindolo[2,3-b]carbazol-6-yl ethyl ester
CID 11631548
US10221173, Example 73
CID 135277123
US10221173, Example 18
CID 135277197
US10221173, Example 74
CID 135343791
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazole
CID 375158
1-methoxy-4-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methyl-9H-carbazole
CID 375159
US10221173, Example 9
CID 135277098

Frequently Asked Questions

What is the IUPAC name of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium?
The IUPAC name of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium (CID 59238902) is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium?
The canonical SMILES for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium is C[N+](C)(C)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]ethyl-trimethylazanium?
The InChIKey is QWUKOCUWGRHWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N3O/c1-28(2,3)8-9-29-23-21-17(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,8-9H2,1-3H3/q+1.
What are the key properties of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium?
2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl-trimethylazanium has a molecular weight of 394.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 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]ethyl-trimethylazanium is sourced from PubChem (CID 59238902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).