7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine

C27H21FN2 — CID 71504689

IUPAC7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine
SMILESFc1ccc2nc3c(cc2c1)C(c1c(-c2ccccc2)[nH]c2ccccc12)CCC3
InChIInChI=1S/C27H21FN2/c28-19-13-14-23-18(15-19)16-22-20(10-6-12-25(22)29-23)26-21-9-4-5-11-24(21)30-27(26)17-7-2-1-3-8-17/h1-5,7-9,11,13-16,20,30H,6,10,12H2
InChIKeyZVSMWPVQKXIWTJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP6.99
Rot. Bonds2

About 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine

7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine (PubChem CID 71504689) has the molecular formula C27H21FN2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine
PubChem CID71504689
Molecular FormulaC27H21FN2
Molecular Weight392.48 g/mol
Exact Mass392.17
IUPAC Name7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine
SMILESFc1ccc2nc3c(cc2c1)C(c1c(-c2ccccc2)[nH]c2ccccc12)CCC3
InChIInChI=1S/C27H21FN2/c28-19-13-14-23-18(15-19)16-22-20(10-6-12-25(22)29-23)26-21-9-4-5-11-24(21)30-27(26)17-7-2-1-3-8-17/h1-5,7-9,11,13-16,20,30H,6,10,12H2
InChIKeyZVSMWPVQKXIWTJ-UHFFFAOYSA-N
XLogP6.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 71505251
3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole
CID 10451802
3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole
CID 170874045
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
(2E)-2-[(5-bromo-2-nitrophenyl)methylidene]-3-(2-phenyl-1H-indol-3-yl)cyclohexan-1-one
CID 71504514
3-fluoro-2-phenyl-1H-indole
CID 141242496
(3S)-2-[(4-fluorophenyl)methyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031655
9-benzyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 134913901
1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023996
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-iodo-10H-indolo[3,2-b]quinoline
CID 101386213
6-[[2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942401

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine?
The IUPAC name of 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine (CID 71504689) is 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine is Fc1ccc2nc3c(cc2c1)C(c1c(-c2ccccc2)[nH]c2ccccc12)CCC3.
What is the InChIKey of 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine?
The InChIKey is ZVSMWPVQKXIWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2/c28-19-13-14-23-18(15-19)16-22-20(10-6-12-25(22)29-23)26-21-9-4-5-11-24(21)30-27(26)17-7-2-1-3-8-17/h1-5,7-9,11,13-16,20,30H,6,10,12H2.
What are the key properties of 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine?
7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine has a molecular weight of 392.48 g/mol, XLogP of 6.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 71504689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).