2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole

C20H11F5N2O — CID 70812593

IUPAC2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C20H11F5N2O/c1-28-19-17-14(10-6-8(21)2-4-12(10)26-17)16(20(23,24)25)15-11-7-9(22)3-5-13(11)27-18(15)19/h2-7,26-27H,1H3
InChIKeyUICYEFJGFOQTKD-UHFFFAOYSA-N
MW390.31 g/mol
LogP6.26
Rot. Bonds1

About 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole

2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 70812593) has the molecular formula C20H11F5N2O and a molecular weight of 390.31 g/mol. Its IUPAC name is 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID70812593
Molecular FormulaC20H11F5N2O
Molecular Weight390.31 g/mol
Exact Mass390.08
IUPAC Name2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C20H11F5N2O/c1-28-19-17-14(10-6-8(21)2-4-12(10)26-17)16(20(23,24)25)15-11-7-9(22)3-5-13(11)27-18(15)19/h2-7,26-27H,1H3
InChIKeyUICYEFJGFOQTKD-UHFFFAOYSA-N
XLogP6.26
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole (CID 70812593) is 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole is COc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is UICYEFJGFOQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N2O/c1-28-19-17-14(10-6-8(21)2-4-12(10)26-17)16(20(23,24)25)15-11-7-9(22)3-5-13(11)27-18(15)19/h2-7,26-27H,1H3.
What are the key properties of 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 390.31 g/mol, XLogP of 6.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 70812593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).