3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine

C33H30FN — CID 67692758

IUPAC3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine
SMILESCC(NCc1ccc2ccccc2c1)C(CC=Cc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C33H30FN/c1-24(35-23-26-14-16-28-9-3-5-11-31(28)22-26)33(29-17-19-32(34)20-18-29)12-6-7-25-13-15-27-8-2-4-10-30(27)21-25/h2-11,13-22,24,33,35H,12,23H2,1H3
InChIKeyQLGSIQAKCHOXCO-UHFFFAOYSA-N
MW459.61 g/mol
LogP8.50
Rot. Bonds8

About 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine

3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine (PubChem CID 67692758) has the molecular formula C33H30FN and a molecular weight of 459.61 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine
PubChem CID67692758
Molecular FormulaC33H30FN
Molecular Weight459.61 g/mol
Exact Mass459.24
IUPAC Name3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine
SMILESCC(NCc1ccc2ccccc2c1)C(CC=Cc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C33H30FN/c1-24(35-23-26-14-16-28-9-3-5-11-31(28)22-26)33(29-17-19-32(34)20-18-29)12-6-7-25-13-15-27-8-2-4-10-30(27)21-25/h2-11,13-22,24,33,35H,12,23H2,1H3
InChIKeyQLGSIQAKCHOXCO-UHFFFAOYSA-N
XLogP8.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.61
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine?
The IUPAC name of 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine (CID 67692758) is 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine is CC(NCc1ccc2ccccc2c1)C(CC=Cc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine?
The InChIKey is QLGSIQAKCHOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN/c1-24(35-23-26-14-16-28-9-3-5-11-31(28)22-26)33(29-17-19-32(34)20-18-29)12-6-7-25-13-15-27-8-2-4-10-30(27)21-25/h2-11,13-22,24,33,35H,12,23H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine?
3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine has a molecular weight of 459.61 g/mol, XLogP of 8.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 67692758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).