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

C45H40F4N6O2 — CID 161100285

IUPAC2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.CN(C)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H21F2N3O.C22H19F2N3O/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;1-27(2)7-8-28-22-20-16(14-9-12(23)3-5-18(14)25-20)11-17-15-10-13(24)4-6-19(15)26-21(17)22/h4-7,10-12,26-27H,3,8-9H2,1-2H3;3-6,9-11,25-26H,7-8H2,1-2H3
InChIKeyUIIFZAFBWAJYLD-UHFFFAOYSA-N
MW772.85 g/mol
LogP10.74
Rot. Bonds9

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

2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 161100285) has the molecular formula C45H40F4N6O2 and a molecular weight of 772.85 g/mol. Its IUPAC name is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID161100285
Molecular FormulaC45H40F4N6O2
Molecular Weight772.85 g/mol
Exact Mass772.31
IUPAC Name2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.CN(C)CCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H21F2N3O.C22H19F2N3O/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;1-27(2)7-8-28-22-20-16(14-9-12(23)3-5-18(14)25-20)11-17-15-10-13(24)4-6-19(15)26-21(17)22/h4-7,10-12,26-27H,3,8-9H2,1-2H3;3-6,9-11,25-26H,7-8H2,1-2H3
InChIKeyUIIFZAFBWAJYLD-UHFFFAOYSA-N
XLogP10.74
TPSA88.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.85
LogP ≤ 510.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propan-1-amine;2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole
CID 158336425
1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 59238935
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
CID 59238886
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 59238879
N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine
CID 59239011
2-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1-iodoguanidine
CID 143960033
2,10-difluoro-6-[5-(1,2,4-triazol-1-yl)pentoxy]-5,7-dihydroindolo[2,3-b]carbazole
CID 59238980
1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]piperidin-4-amine
CID 59238974
3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine
CID 45139072
2,10-difluoro-6-[2-(1,2,4-triazol-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole
CID 59239038
N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 59238916
(3S)-1-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]pyrrolidin-3-amine
CID 59238912

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-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine (CID 161100285) is 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.CN(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]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is UIIFZAFBWAJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O.C22H19F2N3O/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;1-27(2)7-8-28-22-20-16(14-9-12(23)3-5-18(14)25-20)11-17-15-10-13(24)4-6-19(15)26-21(17)22/h4-7,10-12,26-27H,3,8-9H2,1-2H3;3-6,9-11,25-26H,7-8H2,1-2H3.
What are the key properties of 2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine?
2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 772.85 g/mol, XLogP of 10.74, 9 rotatable bonds, 4 hydrogen bond donors, and 4 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-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 161100285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).