3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine

C23H17F2N3 — CID 45139072

IUPAC3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine
SMILESCN(C)CC#Cc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H17F2N3/c1-28(2)9-3-4-15-22-18(16-10-13(24)5-7-20(16)26-22)12-19-17-11-14(25)6-8-21(17)27-23(15)19/h5-8,10-12,26-27H,9H2,1-2H3
InChIKeySOXJEUNTYPYIDI-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.15
Rot. Bonds1

About 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine

3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine (PubChem CID 45139072) has the molecular formula C23H17F2N3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine
PubChem CID45139072
Molecular FormulaC23H17F2N3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine
SMILESCN(C)CC#Cc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H17F2N3/c1-28(2)9-3-4-15-22-18(16-10-13(24)5-7-20(16)26-22)12-19-17-11-14(25)6-8-21(17)27-23(15)19/h5-8,10-12,26-27H,9H2,1-2H3
InChIKeySOXJEUNTYPYIDI-UHFFFAOYSA-N
XLogP5.15
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine?
The IUPAC name of 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine (CID 45139072) is 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine.
What is the SMILES notation for 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine?
The canonical SMILES for 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine is CN(C)CC#Cc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine?
The InChIKey is SOXJEUNTYPYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3/c1-28(2)9-3-4-15-22-18(16-10-13(24)5-7-20(16)26-22)12-19-17-11-14(25)6-8-21(17)27-23(15)19/h5-8,10-12,26-27H,9H2,1-2H3.
What are the key properties of 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine?
3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine has a molecular weight of 373.41 g/mol, XLogP of 5.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N,N-dimethylprop-2-yn-1-amine is sourced from PubChem (CID 45139072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).