We address the question why among the multitude of imaginable
C
n
H
m
compositions
some are easily synthesizable and abundant in nature, while others
are not. To shed light on this problem we borrow approaches from nanocluster
study, where stability with respect to neighboring compositions is
used as a criterion of “magic” (particularly stable)
clusters. By merging this criterion with predictions of lowest-energy
structures of all C
n
H
m
molecules in a wide range of compositions (n ≤ 20, m ≤ 42) we provide guidelines
for predicting the presence or absence of certain hydrocarbon molecules
in various environments, their relative abundance and reactivity/inertness.
The resulting maps of stability show the increased stability of C2n
H2 compounds, polyaromatic hydrocarbons,
and diamondoids, which is supported by experimental studies of the
interstellar medium, flames, and petroleum fractions. This approach
can be applied to any other molecular system, rationalizing the diversity
of known compounds and predicting new potentially synthesizable molecules.