1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole

C23H16F3N — CID 175076817

IUPAC1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole
SMILESFC(F)(F)c1ccc2c(c1Cc1ccccc1)Cc1c-2[nH]c2ccccc12
InChIInChI=1S/C23H16F3N/c24-23(25,26)20-11-10-16-17(18(20)12-14-6-2-1-3-7-14)13-19-15-8-4-5-9-21(15)27-22(16)19/h1-11,27H,12-13H2
InChIKeyQFTLSBAVQSTQGX-UHFFFAOYSA-N
MW363.38 g/mol
LogP6.35
Rot. Bonds2

About 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole

1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole (PubChem CID 175076817) has the molecular formula C23H16F3N and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole.

Molecular Properties

Compound Name1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole
PubChem CID175076817
Molecular FormulaC23H16F3N
Molecular Weight363.38 g/mol
Exact Mass363.12
IUPAC Name1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole
SMILESFC(F)(F)c1ccc2c(c1Cc1ccccc1)Cc1c-2[nH]c2ccccc12
InChIInChI=1S/C23H16F3N/c24-23(25,26)20-11-10-16-17(18(20)12-14-6-2-1-3-7-14)13-19-15-8-4-5-9-21(15)27-22(16)19/h1-11,27H,12-13H2
InChIKeyQFTLSBAVQSTQGX-UHFFFAOYSA-N
XLogP6.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole?
The IUPAC name of 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole (CID 175076817) is 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole.
What is the SMILES notation for 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole?
The canonical SMILES for 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole is FC(F)(F)c1ccc2c(c1Cc1ccccc1)Cc1c-2[nH]c2ccccc12.
What is the InChIKey of 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole?
The InChIKey is QFTLSBAVQSTQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N/c24-23(25,26)20-11-10-16-17(18(20)12-14-6-2-1-3-7-14)13-19-15-8-4-5-9-21(15)27-22(16)19/h1-11,27H,12-13H2.
What are the key properties of 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole?
1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole has a molecular weight of 363.38 g/mol, XLogP of 6.35, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole is sourced from PubChem (CID 175076817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).